3-(difluoromethylimino)-4-methylpent-1-en-1-amine

C7H12F2N2 — CID 153070776

IUPAC3-(difluoromethylimino)-4-methylpent-1-en-1-amine
SMILESCC(C)C(C=CN)=NC(F)F
InChIInChI=1S/C7H12F2N2/c1-5(2)6(3-4-10)11-7(8)9/h3-5,7H,10H2,1-2H3
InChIKeyQHJILBYAEZRWIH-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.78
Rot. Bonds3

About 3-(difluoromethylimino)-4-methylpent-1-en-1-amine

3-(difluoromethylimino)-4-methylpent-1-en-1-amine (PubChem CID 153070776) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-(difluoromethylimino)-4-methylpent-1-en-1-amine.

Molecular Properties

Compound Name3-(difluoromethylimino)-4-methylpent-1-en-1-amine
PubChem CID153070776
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name3-(difluoromethylimino)-4-methylpent-1-en-1-amine
SMILESCC(C)C(C=CN)=NC(F)F
InChIInChI=1S/C7H12F2N2/c1-5(2)6(3-4-10)11-7(8)9/h3-5,7H,10H2,1-2H3
InChIKeyQHJILBYAEZRWIH-UHFFFAOYSA-N
XLogP1.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(difluoromethylimino)-4-methylpent-1-en-1-amine 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 3-(difluoromethylimino)-4-methylpent-1-en-1-amine?
The IUPAC name of 3-(difluoromethylimino)-4-methylpent-1-en-1-amine (CID 153070776) is 3-(difluoromethylimino)-4-methylpent-1-en-1-amine.
What is the SMILES notation for 3-(difluoromethylimino)-4-methylpent-1-en-1-amine?
The canonical SMILES for 3-(difluoromethylimino)-4-methylpent-1-en-1-amine is CC(C)C(C=CN)=NC(F)F.
What is the InChIKey of 3-(difluoromethylimino)-4-methylpent-1-en-1-amine?
The InChIKey is QHJILBYAEZRWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-5(2)6(3-4-10)11-7(8)9/h3-5,7H,10H2,1-2H3.
What are the key properties of 3-(difluoromethylimino)-4-methylpent-1-en-1-amine?
3-(difluoromethylimino)-4-methylpent-1-en-1-amine has a molecular weight of 162.18 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylimino)-4-methylpent-1-en-1-amine is sourced from PubChem (CID 153070776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).