N-methyl-1-octadec-9-enylcyclopentan-1-amine

C24H47N — CID 54172584

IUPACN-methyl-1-octadec-9-enylcyclopentan-1-amine
SMILESCCCCCCCCC=CCCCCCCCCC1(NC)CCCC1
InChIInChI=1S/C24H47N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(25-2)22-19-20-23-24/h10-11,25H,3-9,12-23H2,1-2H3
InChIKeyJRQGUZHPFJKJRG-UHFFFAOYSA-N
MW349.65 g/mol
LogP7.95
Rot. Bonds17

About N-methyl-1-octadec-9-enylcyclopentan-1-amine

N-methyl-1-octadec-9-enylcyclopentan-1-amine (PubChem CID 54172584) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is N-methyl-1-octadec-9-enylcyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-1-octadec-9-enylcyclopentan-1-amine
PubChem CID54172584
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC NameN-methyl-1-octadec-9-enylcyclopentan-1-amine
SMILESCCCCCCCCC=CCCCCCCCCC1(NC)CCCC1
InChIInChI=1S/C24H47N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(25-2)22-19-20-23-24/h10-11,25H,3-9,12-23H2,1-2H3
InChIKeyJRQGUZHPFJKJRG-UHFFFAOYSA-N
XLogP7.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 57.95
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-octadec-9-enylcyclopentan-1-amine?
The IUPAC name of N-methyl-1-octadec-9-enylcyclopentan-1-amine (CID 54172584) is N-methyl-1-octadec-9-enylcyclopentan-1-amine.
What is the SMILES notation for N-methyl-1-octadec-9-enylcyclopentan-1-amine?
The canonical SMILES for N-methyl-1-octadec-9-enylcyclopentan-1-amine is CCCCCCCCC=CCCCCCCCCC1(NC)CCCC1.
What is the InChIKey of N-methyl-1-octadec-9-enylcyclopentan-1-amine?
The InChIKey is JRQGUZHPFJKJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(25-2)22-19-20-23-24/h10-11,25H,3-9,12-23H2,1-2H3.
What are the key properties of N-methyl-1-octadec-9-enylcyclopentan-1-amine?
N-methyl-1-octadec-9-enylcyclopentan-1-amine has a molecular weight of 349.65 g/mol, XLogP of 7.95, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-octadec-9-enylcyclopentan-1-amine is sourced from PubChem (CID 54172584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).