1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine

C13H26N2 — CID 21424845

IUPAC1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESNC1(CC2(N)CCCCC2)CCCCC1
InChIInChI=1S/C13H26N2/c14-12(7-3-1-4-8-12)11-13(15)9-5-2-6-10-13/h1-11,14-15H2
InChIKeySPJXZYLLLWOSLQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.70
Rot. Bonds2

About 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine

1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 21424845) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine
PubChem CID21424845
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine
SMILESNC1(CC2(N)CCCCC2)CCCCC1
InChIInChI=1S/C13H26N2/c14-12(7-3-1-4-8-12)11-13(15)9-5-2-6-10-13/h1-11,14-15H2
InChIKeySPJXZYLLLWOSLQ-UHFFFAOYSA-N
XLogP2.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-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 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine (CID 21424845) is 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine is NC1(CC2(N)CCCCC2)CCCCC1.
What is the InChIKey of 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is SPJXZYLLLWOSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c14-12(7-3-1-4-8-12)11-13(15)9-5-2-6-10-13/h1-11,14-15H2.
What are the key properties of 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine?
1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 21424845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).