hept-6-en-2-imine

C7H13N — CID 123974670

IUPAChept-6-en-2-imine
SMILES[H]/N=C(\C)CCCC=C
InChIInChI=1S/C7H13N/c1-3-4-5-6-7(2)8/h3,8H,1,4-6H2,2H3/b8-7+
InChIKeyZBZVLDWVXWIJNS-BQYQJAHWSA-N
MW111.19 g/mol
LogP2.38
Rot. Bonds4

About hept-6-en-2-imine

hept-6-en-2-imine (PubChem CID 123974670) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is hept-6-en-2-imine.

Molecular Properties

Compound Namehept-6-en-2-imine
PubChem CID123974670
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namehept-6-en-2-imine
SMILES[H]/N=C(\C)CCCC=C
InChIInChI=1S/C7H13N/c1-3-4-5-6-7(2)8/h3,8H,1,4-6H2,2H3/b8-7+
InChIKeyZBZVLDWVXWIJNS-BQYQJAHWSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hept-6-en-2-imine 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 hept-6-en-2-imine?
The IUPAC name of hept-6-en-2-imine (CID 123974670) is hept-6-en-2-imine.
What is the SMILES notation for hept-6-en-2-imine?
The canonical SMILES for hept-6-en-2-imine is [H]/N=C(\C)CCCC=C.
What is the InChIKey of hept-6-en-2-imine?
The InChIKey is ZBZVLDWVXWIJNS-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-5-6-7(2)8/h3,8H,1,4-6H2,2H3/b8-7+.
What are the key properties of hept-6-en-2-imine?
hept-6-en-2-imine has a molecular weight of 111.19 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-en-2-imine is sourced from PubChem (CID 123974670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).