(E)-16-ethoxyhexadec-9-en-1-amine

C18H37NO — CID 6437490

IUPAC(E)-16-ethoxyhexadec-9-en-1-amine
SMILESCCOCCCCCC/C=C/CCCCCCCCN
InChIInChI=1S/C18H37NO/c1-2-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6H,2-3,5,7-19H2,1H3/b6-4+
InChIKeyOOBSUSUFVSSVFU-GQCTYLIASA-N
MW283.50 g/mol
LogP5.22
Rot. Bonds16

About (E)-16-ethoxyhexadec-9-en-1-amine

(E)-16-ethoxyhexadec-9-en-1-amine (PubChem CID 6437490) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (E)-16-ethoxyhexadec-9-en-1-amine.

Molecular Properties

Compound Name(E)-16-ethoxyhexadec-9-en-1-amine
PubChem CID6437490
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(E)-16-ethoxyhexadec-9-en-1-amine
SMILESCCOCCCCCC/C=C/CCCCCCCCN
InChIInChI=1S/C18H37NO/c1-2-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6H,2-3,5,7-19H2,1H3/b6-4+
InChIKeyOOBSUSUFVSSVFU-GQCTYLIASA-N
XLogP5.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.22
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 (E)-16-ethoxyhexadec-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
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
3-Octadec-9-enoxypropan-1-amine
CID 408915

Frequently Asked Questions

What is the IUPAC name of (E)-16-ethoxyhexadec-9-en-1-amine?
The IUPAC name of (E)-16-ethoxyhexadec-9-en-1-amine (CID 6437490) is (E)-16-ethoxyhexadec-9-en-1-amine.
What is the SMILES notation for (E)-16-ethoxyhexadec-9-en-1-amine?
The canonical SMILES for (E)-16-ethoxyhexadec-9-en-1-amine is CCOCCCCCC/C=C/CCCCCCCCN.
What is the InChIKey of (E)-16-ethoxyhexadec-9-en-1-amine?
The InChIKey is OOBSUSUFVSSVFU-GQCTYLIASA-N. The full InChI is InChI=1S/C18H37NO/c1-2-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6H,2-3,5,7-19H2,1H3/b6-4+.
What are the key properties of (E)-16-ethoxyhexadec-9-en-1-amine?
(E)-16-ethoxyhexadec-9-en-1-amine has a molecular weight of 283.50 g/mol, XLogP of 5.22, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-16-ethoxyhexadec-9-en-1-amine is sourced from PubChem (CID 6437490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).