(E)-22-ethoxydocos-13-en-1-amine

C24H49NO — CID 6450540

IUPAC(E)-22-ethoxydocos-13-en-1-amine
SMILESCCOCCCCCCCC/C=C/CCCCCCCCCCCCN
InChIInChI=1S/C24H49NO/c1-2-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25/h6,8H,2-5,7,9-25H2,1H3/b8-6+
InChIKeyHZWZIGLSNJCMDK-SOFGYWHQSA-N
MW367.66 g/mol
LogP7.56
Rot. Bonds22

About (E)-22-ethoxydocos-13-en-1-amine

(E)-22-ethoxydocos-13-en-1-amine (PubChem CID 6450540) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is (E)-22-ethoxydocos-13-en-1-amine.

Molecular Properties

Compound Name(E)-22-ethoxydocos-13-en-1-amine
PubChem CID6450540
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC Name(E)-22-ethoxydocos-13-en-1-amine
SMILESCCOCCCCCCCC/C=C/CCCCCCCCCCCCN
InChIInChI=1S/C24H49NO/c1-2-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25/h6,8H,2-5,7,9-25H2,1H3/b8-6+
InChIKeyHZWZIGLSNJCMDK-SOFGYWHQSA-N
XLogP7.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.56
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'}

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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
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)-22-ethoxydocos-13-en-1-amine?
The IUPAC name of (E)-22-ethoxydocos-13-en-1-amine (CID 6450540) is (E)-22-ethoxydocos-13-en-1-amine.
What is the SMILES notation for (E)-22-ethoxydocos-13-en-1-amine?
The canonical SMILES for (E)-22-ethoxydocos-13-en-1-amine is CCOCCCCCCCC/C=C/CCCCCCCCCCCCN.
What is the InChIKey of (E)-22-ethoxydocos-13-en-1-amine?
The InChIKey is HZWZIGLSNJCMDK-SOFGYWHQSA-N. The full InChI is InChI=1S/C24H49NO/c1-2-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25/h6,8H,2-5,7,9-25H2,1H3/b8-6+.
What are the key properties of (E)-22-ethoxydocos-13-en-1-amine?
(E)-22-ethoxydocos-13-en-1-amine has a molecular weight of 367.66 g/mol, XLogP of 7.56, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-22-ethoxydocos-13-en-1-amine is sourced from PubChem (CID 6450540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).