N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine

C14H30N2 — CID 62511473

IUPACN-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine
SMILESCCCCCCC(C)N1CCC(CNC)C1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-8-13(2)16-10-9-14(12-16)11-15-3/h13-15H,4-12H2,1-3H3
InChIKeyPOMPYEXLEDYOBC-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

About N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine

N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 62511473) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID62511473
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine
SMILESCCCCCCC(C)N1CCC(CNC)C1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-8-13(2)16-10-9-14(12-16)11-15-3/h13-15H,4-12H2,1-3H3
InChIKeyPOMPYEXLEDYOBC-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine (CID 62511473) is N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine is CCCCCCC(C)N1CCC(CNC)C1.
What is the InChIKey of N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is POMPYEXLEDYOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-6-7-8-13(2)16-10-9-14(12-16)11-15-3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine?
N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 62511473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).