2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine

C16H31N3 — CID 63169631

IUPAC2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(C1CCCC1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H31N3/c17-12-16(14-6-2-3-7-14)19-11-8-15(13-19)18-9-4-1-5-10-18/h14-16H,1-13,17H2
InChIKeyVAJOEPHDAQYNBU-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.06
Rot. Bonds4

About 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine

2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine (PubChem CID 63169631) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
PubChem CID63169631
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(C1CCCC1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H31N3/c17-12-16(14-6-2-3-7-14)19-11-8-15(13-19)18-9-4-1-5-10-18/h14-16H,1-13,17H2
InChIKeyVAJOEPHDAQYNBU-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine (CID 63169631) is 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine is NCC(C1CCCC1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is VAJOEPHDAQYNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c17-12-16(14-6-2-3-7-14)19-11-8-15(13-19)18-9-4-1-5-10-18/h14-16H,1-13,17H2.
What are the key properties of 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 265.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63169631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).