1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine

C10H22N2 — CID 170046729

IUPAC1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
SMILESCNC(C)C1CCCC(CN)C1
InChIInChI=1S/C10H22N2/c1-8(12-2)10-5-3-4-9(6-10)7-11/h8-10,12H,3-7,11H2,1-2H3
InChIKeyAFUNKOXJXMOBOU-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds3

About 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine

1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine (PubChem CID 170046729) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
PubChem CID170046729
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
SMILESCNC(C)C1CCCC(CN)C1
InChIInChI=1S/C10H22N2/c1-8(12-2)10-5-3-4-9(6-10)7-11/h8-10,12H,3-7,11H2,1-2H3
InChIKeyAFUNKOXJXMOBOU-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine?
The IUPAC name of 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine (CID 170046729) is 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine?
The canonical SMILES for 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine is CNC(C)C1CCCC(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine?
The InChIKey is AFUNKOXJXMOBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(12-2)10-5-3-4-9(6-10)7-11/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine?
1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 170046729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).