N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine

C13H26N2O — CID 81332868

IUPACN-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NCCOC2CCCC2)CN1C
InChIInChI=1S/C13H26N2O/c1-11-9-12(10-15(11)2)14-7-8-16-13-5-3-4-6-13/h11-14H,3-10H2,1-2H3
InChIKeyNCPZAUHAEWLVGA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine

N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81332868) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81332868
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NCCOC2CCCC2)CN1C
InChIInChI=1S/C13H26N2O/c1-11-9-12(10-15(11)2)14-7-8-16-13-5-3-4-6-13/h11-14H,3-10H2,1-2H3
InChIKeyNCPZAUHAEWLVGA-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine (CID 81332868) is N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(NCCOC2CCCC2)CN1C.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is NCPZAUHAEWLVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-9-12(10-15(11)2)14-7-8-16-13-5-3-4-6-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine?
N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81332868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).