N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine

C11H22N2 — CID 20647300

IUPACN-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CCCC(CN)C1
InChIInChI=1S/C11H22N2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h10-11,13H,1,3-8,12H2,2H3
InChIKeyQHTJTCMCNONZME-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.87
Rot. Bonds4

About N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine

N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine (PubChem CID 20647300) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
PubChem CID20647300
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CCCC(CN)C1
InChIInChI=1S/C11H22N2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h10-11,13H,1,3-8,12H2,2H3
InChIKeyQHTJTCMCNONZME-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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
The IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine (CID 20647300) is N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine is C=C(C)NCC1CCCC(CN)C1.
What is the InChIKey of N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
The InChIKey is QHTJTCMCNONZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h10-11,13H,1,3-8,12H2,2H3.
What are the key properties of N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
N-[[3-(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-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 20647300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).