(E)-2-(propylideneamino)but-1-en-1-amine

C7H14N2 — CID 123943641

IUPAC(E)-2-(propylideneamino)but-1-en-1-amine
SMILESCC/C=N/C(=C/N)CC
InChIInChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h5-6H,3-4,8H2,1-2H3/b7-6+,9-5+
InChIKeyUCVKNKPWCURABI-CQCRHSALSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds3

About (E)-2-(propylideneamino)but-1-en-1-amine

(E)-2-(propylideneamino)but-1-en-1-amine (PubChem CID 123943641) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-2-(propylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(propylideneamino)but-1-en-1-amine
PubChem CID123943641
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-2-(propylideneamino)but-1-en-1-amine
SMILESCC/C=N/C(=C/N)CC
InChIInChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h5-6H,3-4,8H2,1-2H3/b7-6+,9-5+
InChIKeyUCVKNKPWCURABI-CQCRHSALSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-(propylideneamino)but-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 (E)-2-(propylideneamino)but-1-en-1-amine?
The IUPAC name of (E)-2-(propylideneamino)but-1-en-1-amine (CID 123943641) is (E)-2-(propylideneamino)but-1-en-1-amine.
What is the SMILES notation for (E)-2-(propylideneamino)but-1-en-1-amine?
The canonical SMILES for (E)-2-(propylideneamino)but-1-en-1-amine is CC/C=N/C(=C/N)CC.
What is the InChIKey of (E)-2-(propylideneamino)but-1-en-1-amine?
The InChIKey is UCVKNKPWCURABI-CQCRHSALSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h5-6H,3-4,8H2,1-2H3/b7-6+,9-5+.
What are the key properties of (E)-2-(propylideneamino)but-1-en-1-amine?
(E)-2-(propylideneamino)but-1-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(propylideneamino)but-1-en-1-amine is sourced from PubChem (CID 123943641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).