N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine

C11H22N2 — CID 21334595

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CCC(CN)CC1
InChIInChI=1S/C11H22N2/c1-9(2)13-8-11-5-3-10(7-12)4-6-11/h10-11,13H,1,3-8,12H2,2H3
InChIKeyLFNRIAVFZDTEFC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.87
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine (PubChem CID 21334595) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
PubChem CID21334595
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CCC(CN)CC1
InChIInChI=1S/C11H22N2/c1-9(2)13-8-11-5-3-10(7-12)4-6-11/h10-11,13H,1,3-8,12H2,2H3
InChIKeyLFNRIAVFZDTEFC-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine (CID 21334595) is N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine is C=C(C)NCC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
The InChIKey is LFNRIAVFZDTEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)13-8-11-5-3-10(7-12)4-6-11/h10-11,13H,1,3-8,12H2,2H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 21334595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).