4-iminocyclohexan-1-amine

C6H12N2 — CID 57170566

IUPAC4-iminocyclohexan-1-amine
SMILES[H]N=C1CCC(N)CC1
InChIInChI=1S/C6H12N2/c7-5-1-2-6(8)4-3-5/h5,8H,1-4,7H2/b8-6-
InChIKeyXKUCNGYEXHDXAS-VURMDHGXSA-N
MW112.18 g/mol
LogP0.91
Rot. Bonds

About 4-iminocyclohexan-1-amine

4-iminocyclohexan-1-amine (PubChem CID 57170566) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-iminocyclohexan-1-amine.

Molecular Properties

Compound Name4-iminocyclohexan-1-amine
PubChem CID57170566
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-iminocyclohexan-1-amine
SMILES[H]N=C1CCC(N)CC1
InChIInChI=1S/C6H12N2/c7-5-1-2-6(8)4-3-5/h5,8H,1-4,7H2/b8-6-
InChIKeyXKUCNGYEXHDXAS-VURMDHGXSA-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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Frequently Asked Questions

What is the IUPAC name of 4-iminocyclohexan-1-amine?
The IUPAC name of 4-iminocyclohexan-1-amine (CID 57170566) is 4-iminocyclohexan-1-amine.
What is the SMILES notation for 4-iminocyclohexan-1-amine?
The canonical SMILES for 4-iminocyclohexan-1-amine is [H]N=C1CCC(N)CC1.
What is the InChIKey of 4-iminocyclohexan-1-amine?
The InChIKey is XKUCNGYEXHDXAS-VURMDHGXSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-1-2-6(8)4-3-5/h5,8H,1-4,7H2/b8-6-.
What are the key properties of 4-iminocyclohexan-1-amine?
4-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 4-iminocyclohexan-1-amine is sourced from PubChem (CID 57170566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).