2-iminocyclohexan-1-amine

C6H12N2 — CID 23599757

IUPAC2-iminocyclohexan-1-amine
SMILES[H]/N=C1\CCCCC1N
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h5,8H,1-4,7H2/b8-6+
InChIKeyWJGYKFVULKNSOB-SOFGYWHQSA-N
MW112.18 g/mol
LogP0.91
Rot. Bonds

About 2-iminocyclohexan-1-amine

2-iminocyclohexan-1-amine (PubChem CID 23599757) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-iminocyclohexan-1-amine.

Molecular Properties

Compound Name2-iminocyclohexan-1-amine
PubChem CID23599757
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-iminocyclohexan-1-amine
SMILES[H]/N=C1\CCCCC1N
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h5,8H,1-4,7H2/b8-6+
InChIKeyWJGYKFVULKNSOB-SOFGYWHQSA-N
XLogP0.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Iminocyclohexan-1-amine
CID 54522062
[(4-Aminocyclohexylidene)amino] hypofluorite
CID 142872847
(2R)-6-fluoro-4-iminohexan-2-amine
CID 174642905
(2S)-6-fluoro-4-iminohexan-2-amine
CID 174654648
(NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride
CID 13050726
2,2-Difluoro-6-iminocyclohexan-1-amine
CID 162618620
(NE)-N-(2-aminocyclohexylidene)hydroxylamine
CID 13050725
(NZ)-N-(2-aminocyclohexylidene)hydroxylamine
CID 20451939
N-(2-iminocyclohexyl)hydroxylamine
CID 56616588
4-Iminohexane-1,2,6-triamine
CID 57062309
4-Iminocyclohexan-1-amine
CID 57170566
2-Iminocyclohexane-1,3-diamine
CID 57224131

Frequently Asked Questions

What is the IUPAC name of 2-iminocyclohexan-1-amine?
The IUPAC name of 2-iminocyclohexan-1-amine (CID 23599757) is 2-iminocyclohexan-1-amine.
What is the SMILES notation for 2-iminocyclohexan-1-amine?
The canonical SMILES for 2-iminocyclohexan-1-amine is [H]/N=C1\CCCCC1N.
What is the InChIKey of 2-iminocyclohexan-1-amine?
The InChIKey is WJGYKFVULKNSOB-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h5,8H,1-4,7H2/b8-6+.
What are the key properties of 2-iminocyclohexan-1-amine?
2-iminocyclohexan-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminocyclohexan-1-amine is sourced from PubChem (CID 23599757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).