3-ethyldocos-13-ene-3,4-diamine

C24H50N2 — CID 54511499

IUPAC3-ethyldocos-13-ene-3,4-diamine
SMILESCCCCCCCCC=CCCCCCCCCC(N)C(N)(CC)CC
InChIInChI=1S/C24H50N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26,5-2)6-3/h13-14,23H,4-12,15-22,25-26H2,1-3H3
InChIKeyYJLKXZUJNSHBOO-UHFFFAOYSA-N
MW366.68 g/mol
LogP7.26
Rot. Bonds19

About 3-ethyldocos-13-ene-3,4-diamine

3-ethyldocos-13-ene-3,4-diamine (PubChem CID 54511499) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 3-ethyldocos-13-ene-3,4-diamine.

Molecular Properties

Compound Name3-ethyldocos-13-ene-3,4-diamine
PubChem CID54511499
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC Name3-ethyldocos-13-ene-3,4-diamine
SMILESCCCCCCCCC=CCCCCCCCCC(N)C(N)(CC)CC
InChIInChI=1S/C24H50N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26,5-2)6-3/h13-14,23H,4-12,15-22,25-26H2,1-3H3
InChIKeyYJLKXZUJNSHBOO-UHFFFAOYSA-N
XLogP7.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyldocos-13-ene-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-aminoicos-11-ene-1,1,1-triol;hydrobromide
CID 173363645
heptatriaconta-6,28-dien-19-amine
CID 123539967
15-tetradecyltriacontane-15,16-diamine
CID 129286411
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of 3-ethyldocos-13-ene-3,4-diamine?
The IUPAC name of 3-ethyldocos-13-ene-3,4-diamine (CID 54511499) is 3-ethyldocos-13-ene-3,4-diamine.
What is the SMILES notation for 3-ethyldocos-13-ene-3,4-diamine?
The canonical SMILES for 3-ethyldocos-13-ene-3,4-diamine is CCCCCCCCC=CCCCCCCCCC(N)C(N)(CC)CC.
What is the InChIKey of 3-ethyldocos-13-ene-3,4-diamine?
The InChIKey is YJLKXZUJNSHBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26,5-2)6-3/h13-14,23H,4-12,15-22,25-26H2,1-3H3.
What are the key properties of 3-ethyldocos-13-ene-3,4-diamine?
3-ethyldocos-13-ene-3,4-diamine has a molecular weight of 366.68 g/mol, XLogP of 7.26, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyldocos-13-ene-3,4-diamine is sourced from PubChem (CID 54511499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).