3-iminohex-5-en-1-amine

C6H12N2 — CID 57035427

IUPAC3-iminohex-5-en-1-amine
SMILES[H]/N=C(\CC=C)CCN
InChIInChI=1S/C6H12N2/c1-2-3-6(8)4-5-7/h2,8H,1,3-5,7H2/b8-6+
InChIKeyXUKFPFFZMRBHGP-SOFGYWHQSA-N
MW112.18 g/mol
LogP0.93
Rot. Bonds4

About 3-iminohex-5-en-1-amine

3-iminohex-5-en-1-amine (PubChem CID 57035427) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-iminohex-5-en-1-amine.

Molecular Properties

Compound Name3-iminohex-5-en-1-amine
PubChem CID57035427
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-iminohex-5-en-1-amine
SMILES[H]/N=C(\CC=C)CCN
InChIInChI=1S/C6H12N2/c1-2-3-6(8)4-5-7/h2,8H,1,3-5,7H2/b8-6+
InChIKeyXUKFPFFZMRBHGP-SOFGYWHQSA-N
XLogP0.93
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-iminohex-5-en-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

Related Compounds

3-Iminonona-1,7,8-trien-4-amine
CID 90802406
2-Iminohex-5-en-3-amine
CID 123342184
5-Iminohept-6-en-2-amine
CID 123625298
2-(3H-pyrrol-2-yl)ethanamine
CID 125319336
(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine
CID 171097273

Frequently Asked Questions

What is the IUPAC name of 3-iminohex-5-en-1-amine?
The IUPAC name of 3-iminohex-5-en-1-amine (CID 57035427) is 3-iminohex-5-en-1-amine.
What is the SMILES notation for 3-iminohex-5-en-1-amine?
The canonical SMILES for 3-iminohex-5-en-1-amine is [H]/N=C(\CC=C)CCN.
What is the InChIKey of 3-iminohex-5-en-1-amine?
The InChIKey is XUKFPFFZMRBHGP-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-6(8)4-5-7/h2,8H,1,3-5,7H2/b8-6+.
What are the key properties of 3-iminohex-5-en-1-amine?
3-iminohex-5-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminohex-5-en-1-amine is sourced from PubChem (CID 57035427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).