N-methyl-N-octadec-1-enyloctadec-1-en-1-amine

C37H73N — CID 87390461

IUPACN-methyl-N-octadec-1-enyloctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=CN(C)C=CCCCCCCCCCCCCCCCC
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/h34-37H,4-33H2,1-3H3
InChIKeyLZBSVYJDTFQUHM-UHFFFAOYSA-N
MW532.00 g/mol
LogP13.69
Rot. Bonds32

About N-methyl-N-octadec-1-enyloctadec-1-en-1-amine

N-methyl-N-octadec-1-enyloctadec-1-en-1-amine (PubChem CID 87390461) has the molecular formula C37H73N and a molecular weight of 532.00 g/mol. Its IUPAC name is N-methyl-N-octadec-1-enyloctadec-1-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-octadec-1-enyloctadec-1-en-1-amine
PubChem CID87390461
Molecular FormulaC37H73N
Molecular Weight532.00 g/mol
Exact Mass531.57
IUPAC NameN-methyl-N-octadec-1-enyloctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=CN(C)C=CCCCCCCCCCCCCCCCC
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/h34-37H,4-33H2,1-3H3
InChIKeyLZBSVYJDTFQUHM-UHFFFAOYSA-N
XLogP13.69
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 ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 54137614
CID 54137614
CID 74014596
CID 74014596
CID 87900907
CID 87900907
CID 134906540
CID 134906540
CID 53401310
CID 53401310
CID 71360863
CID 71360863
CID 74010646
CID 74010646
CID 86129253
CID 86129253
CID 101269106
CID 101269106
CID 170848211
CID 170848211
CID 11377118
CID 11377118
CID 11377119
CID 11377119

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octadec-1-enyloctadec-1-en-1-amine?
The IUPAC name of N-methyl-N-octadec-1-enyloctadec-1-en-1-amine (CID 87390461) is N-methyl-N-octadec-1-enyloctadec-1-en-1-amine.
What is the SMILES notation for N-methyl-N-octadec-1-enyloctadec-1-en-1-amine?
The canonical SMILES for N-methyl-N-octadec-1-enyloctadec-1-en-1-amine is CCCCCCCCCCCCCCCCC=CN(C)C=CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-methyl-N-octadec-1-enyloctadec-1-en-1-amine?
The InChIKey is LZBSVYJDTFQUHM-UHFFFAOYSA-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/h34-37H,4-33H2,1-3H3.
What are the key properties of N-methyl-N-octadec-1-enyloctadec-1-en-1-amine?
N-methyl-N-octadec-1-enyloctadec-1-en-1-amine has a molecular weight of 532.00 g/mol, XLogP of 13.69, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octadec-1-enyloctadec-1-en-1-amine is sourced from PubChem (CID 87390461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).