6-iminohexan-2-amine

C6H14N2 — CID 57132712

IUPAC6-iminohexan-2-amine
SMILES[H]/N=C/CCCC(C)N
InChIInChI=1S/C6H14N2/c1-6(8)4-2-3-5-7/h5-7H,2-4,8H2,1H3/b7-5+
InChIKeySGIINAHSSHOTHQ-FNORWQNLSA-N
MW114.19 g/mol
LogP1.15
Rot. Bonds4

About 6-iminohexan-2-amine

6-iminohexan-2-amine (PubChem CID 57132712) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 6-iminohexan-2-amine.

Molecular Properties

Compound Name6-iminohexan-2-amine
PubChem CID57132712
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name6-iminohexan-2-amine
SMILES[H]/N=C/CCCC(C)N
InChIInChI=1S/C6H14N2/c1-6(8)4-2-3-5-7/h5-7H,2-4,8H2,1H3/b7-5+
InChIKeySGIINAHSSHOTHQ-FNORWQNLSA-N
XLogP1.15
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-iminohexan-2-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 6-iminohexan-2-amine?
The IUPAC name of 6-iminohexan-2-amine (CID 57132712) is 6-iminohexan-2-amine.
What is the SMILES notation for 6-iminohexan-2-amine?
The canonical SMILES for 6-iminohexan-2-amine is [H]/N=C/CCCC(C)N.
What is the InChIKey of 6-iminohexan-2-amine?
The InChIKey is SGIINAHSSHOTHQ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(8)4-2-3-5-7/h5-7H,2-4,8H2,1H3/b7-5+.
What are the key properties of 6-iminohexan-2-amine?
6-iminohexan-2-amine has a molecular weight of 114.19 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iminohexan-2-amine is sourced from PubChem (CID 57132712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).