5-iminohept-6-en-2-amine

C7H14N2 — CID 123625298

IUPAC5-iminohept-6-en-2-amine
SMILES[H]/N=C(\C=C)CCC(C)N
InChIInChI=1S/C7H14N2/c1-3-7(9)5-4-6(2)8/h3,6,9H,1,4-5,8H2,2H3/b9-7+
InChIKeyNUVWBZMFDLKPIW-VQHVLOKHSA-N
MW126.20 g/mol
LogP1.32
Rot. Bonds4

About 5-iminohept-6-en-2-amine

5-iminohept-6-en-2-amine (PubChem CID 123625298) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-iminohept-6-en-2-amine.

Molecular Properties

Compound Name5-iminohept-6-en-2-amine
PubChem CID123625298
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name5-iminohept-6-en-2-amine
SMILES[H]/N=C(\C=C)CCC(C)N
InChIInChI=1S/C7H14N2/c1-3-7(9)5-4-6(2)8/h3,6,9H,1,4-5,8H2,2H3/b9-7+
InChIKeyNUVWBZMFDLKPIW-VQHVLOKHSA-N
XLogP1.32
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iminohept-6-en-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

Related Compounds

3-Iminonona-1,7,8-trien-4-amine
CID 90802406
3-Iminohex-5-en-1-amine
CID 57035427
2-Iminohex-5-en-3-amine
CID 123342184
4-N-hexan-2-ylhex-5-ene-2,4-diimine
CID 123670122
3-Imino-5-methylhex-5-en-2-amine
CID 155365001
5-Ethyliminoocta-6,7-dien-3-amine
CID 163904487
3-Methyliminopent-4-en-1-amine
CID 144855771

Frequently Asked Questions

What is the IUPAC name of 5-iminohept-6-en-2-amine?
The IUPAC name of 5-iminohept-6-en-2-amine (CID 123625298) is 5-iminohept-6-en-2-amine.
What is the SMILES notation for 5-iminohept-6-en-2-amine?
The canonical SMILES for 5-iminohept-6-en-2-amine is [H]/N=C(\C=C)CCC(C)N.
What is the InChIKey of 5-iminohept-6-en-2-amine?
The InChIKey is NUVWBZMFDLKPIW-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-7(9)5-4-6(2)8/h3,6,9H,1,4-5,8H2,2H3/b9-7+.
What are the key properties of 5-iminohept-6-en-2-amine?
5-iminohept-6-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminohept-6-en-2-amine is sourced from PubChem (CID 123625298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).