2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine

C10H22N2 — CID 142152689

IUPAC2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCCC(CN)C1
InChIInChI=1S/C10H22N2/c1-12-6-5-9-3-2-4-10(7-9)8-11/h9-10,12H,2-8,11H2,1H3
InChIKeyDMLURHCOPJAFFN-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds4

About 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine

2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine (PubChem CID 142152689) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
PubChem CID142152689
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCCC(CN)C1
InChIInChI=1S/C10H22N2/c1-12-6-5-9-3-2-4-10(7-9)8-11/h9-10,12H,2-8,11H2,1H3
InChIKeyDMLURHCOPJAFFN-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine
CID 142040832
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine
CID 156519662
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
(3-methylcyclohexyl)methanamine
CID 18361468
(3-propylcyclopentyl)methanamine
CID 83635339
1-[3-(aminomethyl)cyclohexyl]-3-methylurea
CID 130538288
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
CID 134690925
1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
CID 170046729
[3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol
CID 123666256
N-[[3-(aminomethyl)cyclohexyl]methyl]formamide
CID 87717758

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine?
The IUPAC name of 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine (CID 142152689) is 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine is CNCCC1CCCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine?
The InChIKey is DMLURHCOPJAFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-12-6-5-9-3-2-4-10(7-9)8-11/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine?
2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 142152689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).