4-methylhept-6-en-2-imine

C8H15N — CID 123395995

IUPAC4-methylhept-6-en-2-imine
SMILES[H]/N=C(\C)CC(C)CC=C
InChIInChI=1S/C8H15N/c1-4-5-7(2)6-8(3)9/h4,7,9H,1,5-6H2,2-3H3/b9-8+
InChIKeyQYFIQOATXWBCOZ-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.63
Rot. Bonds4

About 4-methylhept-6-en-2-imine

4-methylhept-6-en-2-imine (PubChem CID 123395995) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-methylhept-6-en-2-imine.

Molecular Properties

Compound Name4-methylhept-6-en-2-imine
PubChem CID123395995
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-methylhept-6-en-2-imine
SMILES[H]/N=C(\C)CC(C)CC=C
InChIInChI=1S/C8H15N/c1-4-5-7(2)6-8(3)9/h4,7,9H,1,5-6H2,2-3H3/b9-8+
InChIKeyQYFIQOATXWBCOZ-CMDGGOBGSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methylhept-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

Related Compounds

4-methylheptan-2-imine
CID 90831955
4,7-dimethylnonan-2-imine
CID 123346808
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
4-imino-N,N-dimethylpentan-2-amine
CID 163674101
4,5,6-trimethyloctan-2-imine
CID 123170973
5,5-dimethylhept-6-en-2-imine
CID 146447391
(4S)-5-iodo-4-methylpent-1-ene
CID 101059144
(2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide
CID 163768155
4-buta-1,3-dien-2-ylheptane-1,6-diimine
CID 140575850
4-(3-propan-2-ylphenyl)hex-5-en-2-imine
CID 144681199
azane;5,5-dimethylhept-6-en-2-imine
CID 146447390
4-methylhepta-1,6-diene-1,1-diamine
CID 88988242

Frequently Asked Questions

What is the IUPAC name of 4-methylhept-6-en-2-imine?
The IUPAC name of 4-methylhept-6-en-2-imine (CID 123395995) is 4-methylhept-6-en-2-imine.
What is the SMILES notation for 4-methylhept-6-en-2-imine?
The canonical SMILES for 4-methylhept-6-en-2-imine is [H]/N=C(\C)CC(C)CC=C.
What is the InChIKey of 4-methylhept-6-en-2-imine?
The InChIKey is QYFIQOATXWBCOZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-7(2)6-8(3)9/h4,7,9H,1,5-6H2,2-3H3/b9-8+.
What are the key properties of 4-methylhept-6-en-2-imine?
4-methylhept-6-en-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhept-6-en-2-imine is sourced from PubChem (CID 123395995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).