N,2-dimethylpent-4-en-1-imine

C7H13N — CID 123377717

IUPACN,2-dimethylpent-4-en-1-imine
SMILESC=CCC(C)/C=N/C
InChIInChI=1S/C7H13N/c1-4-5-7(2)6-8-3/h4,6-7H,1,5H2,2-3H3/b8-6+
InChIKeyAAWGQXUVZJICQM-SOFGYWHQSA-N
MW111.19 g/mol
LogP1.90
Rot. Bonds3

About N,2-dimethylpent-4-en-1-imine

N,2-dimethylpent-4-en-1-imine (PubChem CID 123377717) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N,2-dimethylpent-4-en-1-imine.

Molecular Properties

Compound NameN,2-dimethylpent-4-en-1-imine
PubChem CID123377717
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN,2-dimethylpent-4-en-1-imine
SMILESC=CCC(C)/C=N/C
InChIInChI=1S/C7H13N/c1-4-5-7(2)6-8-3/h4,6-7H,1,5H2,2-3H3/b8-6+
InChIKeyAAWGQXUVZJICQM-SOFGYWHQSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2-dimethylpent-4-en-1-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 N,2-dimethylpent-4-en-1-imine?
The IUPAC name of N,2-dimethylpent-4-en-1-imine (CID 123377717) is N,2-dimethylpent-4-en-1-imine.
What is the SMILES notation for N,2-dimethylpent-4-en-1-imine?
The canonical SMILES for N,2-dimethylpent-4-en-1-imine is C=CCC(C)/C=N/C.
What is the InChIKey of N,2-dimethylpent-4-en-1-imine?
The InChIKey is AAWGQXUVZJICQM-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N/c1-4-5-7(2)6-8-3/h4,6-7H,1,5H2,2-3H3/b8-6+.
What are the key properties of N,2-dimethylpent-4-en-1-imine?
N,2-dimethylpent-4-en-1-imine has a molecular weight of 111.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpent-4-en-1-imine is sourced from PubChem (CID 123377717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).