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

C37H73N — CID 15706419

IUPAC(Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C37H73N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-37H2,1-3H3/b20-18-,21-19-
InChIKeyKZWFMOHCIQNTCU-AUYXYSRISA-N
MW532.00 g/mol
LogP12.99
Rot. Bonds32

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

(Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine (PubChem CID 15706419) has the molecular formula C37H73N and a molecular weight of 532.00 g/mol. Its IUPAC name is (Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine
PubChem CID15706419
Molecular FormulaC37H73N
Molecular Weight532.00 g/mol
Exact Mass531.57
IUPAC Name(Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C37H73N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-37H2,1-3H3/b20-18-,21-19-
InChIKeyKZWFMOHCIQNTCU-AUYXYSRISA-N
XLogP12.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.00
LogP ≤ 512.99
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine?
The IUPAC name of (Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine (CID 15706419) is (Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine?
The canonical SMILES for (Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCCN(C)CCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine?
The InChIKey is KZWFMOHCIQNTCU-AUYXYSRISA-N. The full InChI is InChI=1S/C37H73N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-37H2,1-3H3/b20-18-,21-19-.
What are the key properties of (Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine?
(Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine has a molecular weight of 532.00 g/mol, XLogP of 12.99, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine is sourced from PubChem (CID 15706419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).