(E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine

C21H40N2 — CID 172566620

IUPAC(E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine
SMILESC=C(CCCCCCC)C(=N\C)/C(=C/CCN(C)CCC)CC
InChIInChI=1S/C21H40N2/c1-7-10-11-12-13-15-19(4)21(22-5)20(9-3)16-14-18-23(6)17-8-2/h16H,4,7-15,17-18H2,1-3,5-6H3/b20-16+,22-21+
InChIKeyFIAAZJSGEWDURD-WDPZQTTISA-N
MW320.57 g/mol
LogP6.04
Rot. Bonds14

About (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine

(E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine (PubChem CID 172566620) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine
PubChem CID172566620
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC Name(E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine
SMILESC=C(CCCCCCC)C(=N\C)/C(=C/CCN(C)CCC)CC
InChIInChI=1S/C21H40N2/c1-7-10-11-12-13-15-19(4)21(22-5)20(9-3)16-14-18-23(6)17-8-2/h16H,4,7-15,17-18H2,1-3,5-6H3/b20-16+,22-21+
InChIKeyFIAAZJSGEWDURD-WDPZQTTISA-N
XLogP6.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-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)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine?
The IUPAC name of (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine (CID 172566620) is (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine.
What is the SMILES notation for (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine?
The canonical SMILES for (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine is C=C(CCCCCCC)C(=N\C)/C(=C/CCN(C)CCC)CC.
What is the InChIKey of (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine?
The InChIKey is FIAAZJSGEWDURD-WDPZQTTISA-N. The full InChI is InChI=1S/C21H40N2/c1-7-10-11-12-13-15-19(4)21(22-5)20(9-3)16-14-18-23(6)17-8-2/h16H,4,7-15,17-18H2,1-3,5-6H3/b20-16+,22-21+.
What are the key properties of (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine?
(E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine has a molecular weight of 320.57 g/mol, XLogP of 6.04, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-N-methyl-6-methylidene-5-methylimino-N-propyltridec-3-en-1-amine is sourced from PubChem (CID 172566620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).