2,5-dimethylhex-4-en-3-imine

C8H15N — CID 90866688

IUPAC2,5-dimethylhex-4-en-3-imine
SMILES[H]/N=C(\C=C(C)C)C(C)C
InChIInChI=1S/C8H15N/c1-6(2)5-8(9)7(3)4/h5,7,9H,1-4H3/b9-8+
InChIKeyIYMDCUDYMCDLQU-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.63
Rot. Bonds2

About 2,5-dimethylhex-4-en-3-imine

2,5-dimethylhex-4-en-3-imine (PubChem CID 90866688) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,5-dimethylhex-4-en-3-imine.

Molecular Properties

Compound Name2,5-dimethylhex-4-en-3-imine
PubChem CID90866688
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,5-dimethylhex-4-en-3-imine
SMILES[H]/N=C(\C=C(C)C)C(C)C
InChIInChI=1S/C8H15N/c1-6(2)5-8(9)7(3)4/h5,7,9H,1-4H3/b9-8+
InChIKeyIYMDCUDYMCDLQU-CMDGGOBGSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze 2,5-dimethylhex-4-en-3-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

1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
3-Methyl-2-cyclopentenimine
CID 91232431
2-Fluoro-5-methylcyclohepta-2,6-dien-1-imine
CID 123756912
(Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride
CID 146392872
(E)-4-fluoro-6-methylhept-4-en-3-imine
CID 167081424
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Ethylidenecyclohexan-1-imine
CID 14026307
3-Methylpent-3-en-2-imine
CID 15835473
2,4-Dimethylcyclohexa-2,4-dien-1-imine
CID 17812233
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhex-4-en-3-imine?
The IUPAC name of 2,5-dimethylhex-4-en-3-imine (CID 90866688) is 2,5-dimethylhex-4-en-3-imine.
What is the SMILES notation for 2,5-dimethylhex-4-en-3-imine?
The canonical SMILES for 2,5-dimethylhex-4-en-3-imine is [H]/N=C(\C=C(C)C)C(C)C.
What is the InChIKey of 2,5-dimethylhex-4-en-3-imine?
The InChIKey is IYMDCUDYMCDLQU-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)5-8(9)7(3)4/h5,7,9H,1-4H3/b9-8+.
What are the key properties of 2,5-dimethylhex-4-en-3-imine?
2,5-dimethylhex-4-en-3-imine has a molecular weight of 125.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-4-en-3-imine is sourced from PubChem (CID 90866688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).