3,4-dimethyloct-3-en-2-imine

C10H19N — CID 91072612

IUPAC3,4-dimethyloct-3-en-2-imine
SMILES[H]/N=C(\C)C(C)=C(C)CCCC
InChIInChI=1S/C10H19N/c1-5-6-7-8(2)9(3)10(4)11/h11H,5-7H2,1-4H3/b9-8?,11-10+
InChIKeyALGPHQRZJQKBRV-VVKPDYKWSA-N
MW153.27 g/mol
LogP3.55
Rot. Bonds4

About 3,4-dimethyloct-3-en-2-imine

3,4-dimethyloct-3-en-2-imine (PubChem CID 91072612) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,4-dimethyloct-3-en-2-imine.

Molecular Properties

Compound Name3,4-dimethyloct-3-en-2-imine
PubChem CID91072612
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,4-dimethyloct-3-en-2-imine
SMILES[H]/N=C(\C)C(C)=C(C)CCCC
InChIInChI=1S/C10H19N/c1-5-6-7-8(2)9(3)10(4)11/h11H,5-7H2,1-4H3/b9-8?,11-10+
InChIKeyALGPHQRZJQKBRV-VVKPDYKWSA-N
XLogP3.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dimethyloct-3-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

(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine
CID 170257046
2-Ethylidenecyclohexan-1-imine
CID 14026307
2-Butyl-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 18620279
(2E)-2-ethylidenecyclohexan-1-imine
CID 20159053
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
(2E)-2-propylidenecyclohexan-1-imine
CID 21514603
2,3,5,6-Tetramethylcyclohexa-2,5-diene-1,4-diimine
CID 57128446
2-Propylidenecyclohexan-1-imine
CID 68136074
(2Z)-2-ethylidenecyclohexan-1-imine
CID 68255932
4-Ethyl-3-methylhex-3-en-2-imine
CID 88311275
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038331
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloct-3-en-2-imine?
The IUPAC name of 3,4-dimethyloct-3-en-2-imine (CID 91072612) is 3,4-dimethyloct-3-en-2-imine.
What is the SMILES notation for 3,4-dimethyloct-3-en-2-imine?
The canonical SMILES for 3,4-dimethyloct-3-en-2-imine is [H]/N=C(\C)C(C)=C(C)CCCC.
What is the InChIKey of 3,4-dimethyloct-3-en-2-imine?
The InChIKey is ALGPHQRZJQKBRV-VVKPDYKWSA-N. The full InChI is InChI=1S/C10H19N/c1-5-6-7-8(2)9(3)10(4)11/h11H,5-7H2,1-4H3/b9-8?,11-10+.
What are the key properties of 3,4-dimethyloct-3-en-2-imine?
3,4-dimethyloct-3-en-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyloct-3-en-2-imine is sourced from PubChem (CID 91072612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).