(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine

C8H16N2 — CID 142002929

IUPAC(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
SMILESCC/C=N/C=C(\C)CCN
InChIInChI=1S/C8H16N2/c1-3-6-10-7-8(2)4-5-9/h6-7H,3-5,9H2,1-2H3/b8-7+,10-6+
InChIKeyJCTDKWAVCQIEGM-IQXTZUCASA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds4

About (E)-3-methyl-4-(propylideneamino)but-3-en-1-amine

(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine (PubChem CID 142002929) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-3-methyl-4-(propylideneamino)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
PubChem CID142002929
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
SMILESCC/C=N/C=C(\C)CCN
InChIInChI=1S/C8H16N2/c1-3-6-10-7-8(2)4-5-9/h6-7H,3-5,9H2,1-2H3/b8-7+,10-6+
InChIKeyJCTDKWAVCQIEGM-IQXTZUCASA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-4-(propylideneamino)but-3-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)-3-methyl-4-(propylideneamino)but-3-en-1-amine?
The IUPAC name of (E)-3-methyl-4-(propylideneamino)but-3-en-1-amine (CID 142002929) is (E)-3-methyl-4-(propylideneamino)but-3-en-1-amine.
What is the SMILES notation for (E)-3-methyl-4-(propylideneamino)but-3-en-1-amine?
The canonical SMILES for (E)-3-methyl-4-(propylideneamino)but-3-en-1-amine is CC/C=N/C=C(\C)CCN.
What is the InChIKey of (E)-3-methyl-4-(propylideneamino)but-3-en-1-amine?
The InChIKey is JCTDKWAVCQIEGM-IQXTZUCASA-N. The full InChI is InChI=1S/C8H16N2/c1-3-6-10-7-8(2)4-5-9/h6-7H,3-5,9H2,1-2H3/b8-7+,10-6+.
What are the key properties of (E)-3-methyl-4-(propylideneamino)but-3-en-1-amine?
(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(propylideneamino)but-3-en-1-amine is sourced from PubChem (CID 142002929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).