N-(3,4-dimethylpent-1-enyl)ethanimine

C9H17N — CID 123530768

IUPACN-(3,4-dimethylpent-1-enyl)ethanimine
SMILESC/C=N/C=CC(C)C(C)C
InChIInChI=1S/C9H17N/c1-5-10-7-6-9(4)8(2)3/h5-9H,1-4H3/b7-6?,10-5+
InChIKeyBWZDUJCNNVELPG-ZKELMAFTSA-N
MW139.24 g/mol
LogP2.88
Rot. Bonds3

About N-(3,4-dimethylpent-1-enyl)ethanimine

N-(3,4-dimethylpent-1-enyl)ethanimine (PubChem CID 123530768) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(3,4-dimethylpent-1-enyl)ethanimine.

Molecular Properties

Compound NameN-(3,4-dimethylpent-1-enyl)ethanimine
PubChem CID123530768
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(3,4-dimethylpent-1-enyl)ethanimine
SMILESC/C=N/C=CC(C)C(C)C
InChIInChI=1S/C9H17N/c1-5-10-7-6-9(4)8(2)3/h5-9H,1-4H3/b7-6?,10-5+
InChIKeyBWZDUJCNNVELPG-ZKELMAFTSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethylpent-1-enyl)ethanimine 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-(3,4-dimethylpent-1-enyl)ethanimine?
The IUPAC name of N-(3,4-dimethylpent-1-enyl)ethanimine (CID 123530768) is N-(3,4-dimethylpent-1-enyl)ethanimine.
What is the SMILES notation for N-(3,4-dimethylpent-1-enyl)ethanimine?
The canonical SMILES for N-(3,4-dimethylpent-1-enyl)ethanimine is C/C=N/C=CC(C)C(C)C.
What is the InChIKey of N-(3,4-dimethylpent-1-enyl)ethanimine?
The InChIKey is BWZDUJCNNVELPG-ZKELMAFTSA-N. The full InChI is InChI=1S/C9H17N/c1-5-10-7-6-9(4)8(2)3/h5-9H,1-4H3/b7-6?,10-5+.
What are the key properties of N-(3,4-dimethylpent-1-enyl)ethanimine?
N-(3,4-dimethylpent-1-enyl)ethanimine has a molecular weight of 139.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpent-1-enyl)ethanimine is sourced from PubChem (CID 123530768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).