(Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine

C34H68N2 — CID 118281777

IUPAC(Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine
SMILES[H]/N=C/CCCCCCCCCCCCCCCNCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C34H68N2/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-27-30-33-36-34-31-28-25-22-19-16-13-11-14-17-20-23-26-29-32-35/h9-10,32,35-36H,2-8,11-31,33-34H2,1H3/b10-9-,35-32+
InChIKeyLCUHPYJEWDCMMU-YNAWKGBESA-N
MW504.93 g/mol
LogP11.72
Rot. Bonds32

About (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine

(Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine (PubChem CID 118281777) has the molecular formula C34H68N2 and a molecular weight of 504.93 g/mol. Its IUPAC name is (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine
PubChem CID118281777
Molecular FormulaC34H68N2
Molecular Weight504.93 g/mol
Exact Mass504.54
IUPAC Name(Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine
SMILES[H]/N=C/CCCCCCCCCCCCCCCNCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C34H68N2/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-27-30-33-36-34-31-28-25-22-19-16-13-11-14-17-20-23-26-29-32-35/h9-10,32,35-36H,2-8,11-31,33-34H2,1H3/b10-9-,35-32+
InChIKeyLCUHPYJEWDCMMU-YNAWKGBESA-N
XLogP11.72
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.93
LogP ≤ 511.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine?
The IUPAC name of (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine (CID 118281777) is (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine?
The canonical SMILES for (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine is [H]/N=C/CCCCCCCCCCCCCCCNCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine?
The InChIKey is LCUHPYJEWDCMMU-YNAWKGBESA-N. The full InChI is InChI=1S/C34H68N2/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-27-30-33-36-34-31-28-25-22-19-16-13-11-14-17-20-23-26-29-32-35/h9-10,32,35-36H,2-8,11-31,33-34H2,1H3/b10-9-,35-32+.
What are the key properties of (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine?
(Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine has a molecular weight of 504.93 g/mol, XLogP of 11.72, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(16-iminohexadecyl)octadec-9-en-1-amine is sourced from PubChem (CID 118281777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).