18-ethoxyoctadec-9-en-1-amine

C20H41NO — CID 57002472

IUPAC18-ethoxyoctadec-9-en-1-amine
SMILESCCOCCCCCCCCC=CCCCCCCCCN
InChIInChI=1S/C20H41NO/c1-2-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h3-4H,2,5-21H2,1H3
InChIKeyWPGZDPJLVMFFSS-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.00
Rot. Bonds18

About 18-ethoxyoctadec-9-en-1-amine

18-ethoxyoctadec-9-en-1-amine (PubChem CID 57002472) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 18-ethoxyoctadec-9-en-1-amine.

Molecular Properties

Compound Name18-ethoxyoctadec-9-en-1-amine
PubChem CID57002472
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name18-ethoxyoctadec-9-en-1-amine
SMILESCCOCCCCCCCCC=CCCCCCCCCN
InChIInChI=1S/C20H41NO/c1-2-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h3-4H,2,5-21H2,1H3
InChIKeyWPGZDPJLVMFFSS-UHFFFAOYSA-N
XLogP6.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.00
H-Bond Donors ≤ 51
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 18-ethoxyoctadec-9-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

Related Compounds

(cis-9-Tetradecenyloxy)-1-propanaminium bromide
CID 87671029
(2-Hydroxyethyl)oleylamine
CID 129722490
cis-13,14-Epoxy-cis-10-nonadecenyl amine
CID 129726911
cis-13,14-Epoxy-cis-10-nonadecenyl amine hydrochloride
CID 129727028
16-Ethoxyhexadec-9-en-1-amine
CID 109650
(E)-16-ethoxyhexadec-9-en-1-amine
CID 6437490
N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine
CID 6450523
(E)-22-ethoxydocos-13-en-1-amine
CID 6450540
2-[2-[(E)-Octadec-6-enoxy]ethoxy]ethanamine
CID 139594606
2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethanamine
CID 139595983
2-[(E)-octadec-6-enoxy]ethanamine
CID 139596631
3-Octadeca-9,12-dienoxypropan-1-amine
CID 408914

Frequently Asked Questions

What is the IUPAC name of 18-ethoxyoctadec-9-en-1-amine?
The IUPAC name of 18-ethoxyoctadec-9-en-1-amine (CID 57002472) is 18-ethoxyoctadec-9-en-1-amine.
What is the SMILES notation for 18-ethoxyoctadec-9-en-1-amine?
The canonical SMILES for 18-ethoxyoctadec-9-en-1-amine is CCOCCCCCCCCC=CCCCCCCCCN.
What is the InChIKey of 18-ethoxyoctadec-9-en-1-amine?
The InChIKey is WPGZDPJLVMFFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-2-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h3-4H,2,5-21H2,1H3.
What are the key properties of 18-ethoxyoctadec-9-en-1-amine?
18-ethoxyoctadec-9-en-1-amine has a molecular weight of 311.55 g/mol, XLogP of 6.00, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-ethoxyoctadec-9-en-1-amine is sourced from PubChem (CID 57002472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).