N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine

C13H26N2 — CID 103748169

IUPACN-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCCCC2CCCC2)C1
InChIInChI=1S/C13H26N2/c1-15-10-8-13(11-15)14-9-4-7-12-5-2-3-6-12/h12-14H,2-11H2,1H3
InChIKeyVYAYKLANRDUIJR-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds5

About N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine

N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine (PubChem CID 103748169) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
PubChem CID103748169
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCCCC2CCCC2)C1
InChIInChI=1S/C13H26N2/c1-15-10-8-13(11-15)14-9-4-7-12-5-2-3-6-12/h12-14H,2-11H2,1H3
InChIKeyVYAYKLANRDUIJR-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine (CID 103748169) is N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine is CN1CCC(NCCCC2CCCC2)C1.
What is the InChIKey of N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine?
The InChIKey is VYAYKLANRDUIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-15-10-8-13(11-15)14-9-4-7-12-5-2-3-6-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine?
N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 103748169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).