N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine

C15H24N2 — CID 81033564

IUPACN-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1Cc1ccncc1
InChIInChI=1S/C15H24N2/c1-12(2)17-11-15-5-3-4-14(15)10-13-6-8-16-9-7-13/h6-9,12,14-15,17H,3-5,10-11H2,1-2H3
InChIKeyHTUOHRIGOHAORG-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.04
Rot. Bonds5

About N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine

N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81033564) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID81033564
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1Cc1ccncc1
InChIInChI=1S/C15H24N2/c1-12(2)17-11-15-5-3-4-14(15)10-13-6-8-16-9-7-13/h6-9,12,14-15,17H,3-5,10-11H2,1-2H3
InChIKeyHTUOHRIGOHAORG-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine (CID 81033564) is N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1CCCC1Cc1ccncc1.
What is the InChIKey of N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is HTUOHRIGOHAORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)17-11-15-5-3-4-14(15)10-13-6-8-16-9-7-13/h6-9,12,14-15,17H,3-5,10-11H2,1-2H3.
What are the key properties of N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81033564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).