2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

C17H32N2O — CID 62569038

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCCC1C1CCCC1
InChIInChI=1S/C17H32N2O/c1-14(12-18-13-16-8-5-11-20-16)19-10-4-9-17(19)15-6-2-3-7-15/h14-18H,2-13H2,1H3
InChIKeyBHQPLBJHUMZHMQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds6

About 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 62569038) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID62569038
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCCC1C1CCCC1
InChIInChI=1S/C17H32N2O/c1-14(12-18-13-16-8-5-11-20-16)19-10-4-9-17(19)15-6-2-3-7-15/h14-18H,2-13H2,1H3
InChIKeyBHQPLBJHUMZHMQ-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 62569038) is 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)N1CCCC1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is BHQPLBJHUMZHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(12-18-13-16-8-5-11-20-16)19-10-4-9-17(19)15-6-2-3-7-15/h14-18H,2-13H2,1H3.
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62569038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).