(Z)-N-hexadecyloctadec-9-en-1-amine

C34H69N — CID 86624385

IUPAC(Z)-N-hexadecyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNCCCCCCCCCCCCCCCC
InChIInChI=1S/C34H69N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35H,3-16,18,20-34H2,1-2H3/b19-17-
InChIKeyCHAQTRWDLCZRSS-ZPHPHTNESA-N
MW491.93 g/mol
LogP12.09
Rot. Bonds31

About (Z)-N-hexadecyloctadec-9-en-1-amine

(Z)-N-hexadecyloctadec-9-en-1-amine (PubChem CID 86624385) has the molecular formula C34H69N and a molecular weight of 491.93 g/mol. Its IUPAC name is (Z)-N-hexadecyloctadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-hexadecyloctadec-9-en-1-amine
PubChem CID86624385
Molecular FormulaC34H69N
Molecular Weight491.93 g/mol
Exact Mass491.54
IUPAC Name(Z)-N-hexadecyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNCCCCCCCCCCCCCCCC
InChIInChI=1S/C34H69N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35H,3-16,18,20-34H2,1-2H3/b19-17-
InChIKeyCHAQTRWDLCZRSS-ZPHPHTNESA-N
XLogP12.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.93
LogP ≤ 512.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
CID 129018541
(Z)-N-propyltridec-4-en-1-amine
CID 174276526
N-octadec-17-enyloctadec-9-en-1-amine
CID 123898051
N'-[(E)-octadec-9-enyl]propane-1,3-diamine
CID 6365166
N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 154268370
[[(Z)-octadec-9-enyl]amino]methanol
CID 143220768
3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]propan-1-ol
CID 134205305
N'-octadeca-9,12-dienyloctadecane-1,18-diamine
CID 91564749
nonacos-6-ene
CID 25200821
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of (Z)-N-hexadecyloctadec-9-en-1-amine?
The IUPAC name of (Z)-N-hexadecyloctadec-9-en-1-amine (CID 86624385) is (Z)-N-hexadecyloctadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-hexadecyloctadec-9-en-1-amine?
The canonical SMILES for (Z)-N-hexadecyloctadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCCNCCCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-N-hexadecyloctadec-9-en-1-amine?
The InChIKey is CHAQTRWDLCZRSS-ZPHPHTNESA-N. The full InChI is InChI=1S/C34H69N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35H,3-16,18,20-34H2,1-2H3/b19-17-.
What are the key properties of (Z)-N-hexadecyloctadec-9-en-1-amine?
(Z)-N-hexadecyloctadec-9-en-1-amine has a molecular weight of 491.93 g/mol, XLogP of 12.09, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-hexadecyloctadec-9-en-1-amine is sourced from PubChem (CID 86624385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).