CAS RN: 2516-47-4
Cyclopropylmethylamine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: ICTC2345
- Purity/Analytical Methods: >95.0%(GC)(T)
2516-47-4 / cyclopropylmethanamine
Basic Information
CAS
2516-47-4
Multi CAS
No
Molecular Formula
C4H9N
Molecular Weight
71.120000
Exact Mass
71.073499
SMILES
C1CC1CN
InChI
InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2
InChIKey
IGSKHXTUVXSOMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
21.78
TPSA
26.02
LogP / Solubility
WLOGP
0.36
MLOGP
0.3
Consensus LogP
0.22
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
