1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine

C13H26N2O — CID 63655740

IUPAC1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine
SMILESCOC1CNC(CN(C)CC2CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-15(9-11-5-3-4-6-11)10-12-7-13(16-2)8-14-12/h11-14H,3-10H2,1-2H3
InChIKeyDFUMGQJAFXJJHP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

About 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine

1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine (PubChem CID 63655740) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine
PubChem CID63655740
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine
SMILESCOC1CNC(CN(C)CC2CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-15(9-11-5-3-4-6-11)10-12-7-13(16-2)8-14-12/h11-14H,3-10H2,1-2H3
InChIKeyDFUMGQJAFXJJHP-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine (CID 63655740) is 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine is COC1CNC(CN(C)CC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine?
The InChIKey is DFUMGQJAFXJJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(9-11-5-3-4-6-11)10-12-7-13(16-2)8-14-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine?
1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 63655740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).