(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine

C34H67N — CID 162361236

IUPAC(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
SMILESCCCCCCCC/C=C/CCCCCCCNCCCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C34H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35H,3-16,21-34H2,1-2H3/b19-17+,20-18+
InChIKeyVOZBXLVOTCUQJK-XPWSMXQVSA-N
MW489.92 g/mol
LogP11.87
Rot. Bonds30

About (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine

(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine (PubChem CID 162361236) has the molecular formula C34H67N and a molecular weight of 489.92 g/mol. Its IUPAC name is (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
PubChem CID162361236
Molecular FormulaC34H67N
Molecular Weight489.92 g/mol
Exact Mass489.53
IUPAC Name(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
SMILESCCCCCCCC/C=C/CCCCCCCNCCCCCCC/C=C/CCCCCCCC
InChIInChI=1S/C34H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35H,3-16,21-34H2,1-2H3/b19-17+,20-18+
InChIKeyVOZBXLVOTCUQJK-XPWSMXQVSA-N
XLogP11.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.92
LogP ≤ 511.87
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-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(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 (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine?
The IUPAC name of (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine (CID 162361236) is (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine?
The canonical SMILES for (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine is CCCCCCCC/C=C/CCCCCCCNCCCCCCC/C=C/CCCCCCCC.
What is the InChIKey of (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine?
The InChIKey is VOZBXLVOTCUQJK-XPWSMXQVSA-N. The full InChI is InChI=1S/C34H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35H,3-16,21-34H2,1-2H3/b19-17+,20-18+.
What are the key properties of (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine?
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine has a molecular weight of 489.92 g/mol, XLogP of 11.87, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine is sourced from PubChem (CID 162361236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).