(Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine

C36H71N — CID 6441041

IUPAC(Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine
SMILESCCCCCCCC/C=C/CCCCCCCCNCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18+
InChIKeyJTQQDDNCCLCMER-YAFCTCPESA-N
MW518.00 g/mol
LogP15.60
Rot. Bonds32

About (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine

(Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine (PubChem CID 6441041) has the molecular formula C36H71N and a molecular weight of 518.00 g/mol. Its IUPAC name is (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine
PubChem CID6441041
Molecular FormulaC36H71N
Molecular Weight518.00 g/mol
Exact Mass517.56
IUPAC Name(Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine
SMILESCCCCCCCC/C=C/CCCCCCCCNCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18+
InChIKeyJTQQDDNCCLCMER-YAFCTCPESA-N
XLogP15.60
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms37
Complexity398

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.00
LogP ≤ 515.60
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

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Motuporamine C
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Linoleamine
CID 6438044
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CID 8219

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine?
The IUPAC name of (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine (CID 6441041) is (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine?
The canonical SMILES for (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine is CCCCCCCC/C=C/CCCCCCCCNCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine?
The InChIKey is JTQQDDNCCLCMER-YAFCTCPESA-N. The full InChI is InChI=1S/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18+.
What are the key properties of (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine?
(Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine has a molecular weight of 518.00 g/mol, XLogP of 15.60, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine is sourced from PubChem (CID 6441041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).