(3-pyridin-4-ylcyclopentyl)methanamine

C11H16N2 — CID 82280551

IUPAC(3-pyridin-4-ylcyclopentyl)methanamine
SMILESNCC1CCC(c2ccncc2)C1
InChIInChI=1S/C11H16N2/c12-8-9-1-2-11(7-9)10-3-5-13-6-4-10/h3-6,9,11H,1-2,7-8,12H2
InChIKeyXJBWQQNCOWEBRB-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.92
Rot. Bonds2

About (3-pyridin-4-ylcyclopentyl)methanamine

(3-pyridin-4-ylcyclopentyl)methanamine (PubChem CID 82280551) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3-pyridin-4-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3-pyridin-4-ylcyclopentyl)methanamine
PubChem CID82280551
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3-pyridin-4-ylcyclopentyl)methanamine
SMILESNCC1CCC(c2ccncc2)C1
InChIInChI=1S/C11H16N2/c12-8-9-1-2-11(7-9)10-3-5-13-6-4-10/h3-6,9,11H,1-2,7-8,12H2
InChIKeyXJBWQQNCOWEBRB-UHFFFAOYSA-N
XLogP1.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
[3-(4-ethylphenyl)cyclopentyl]methanamine
CID 82282659
4-(4-butylcyclohexyl)pyridine;ethane
CID 143311003
4-(aminomethyl)-2-pyridin-4-ylcyclopentan-1-one
CID 82403948
[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine
CID 127051958
2-[3-(4-methylphenyl)cyclopentyl]ethanamine
CID 82282657
[3-(2-fluorophenyl)cyclopentyl]methanamine
CID 82281650
(4-pyridin-2-ylcyclohexyl)methanamine
CID 82281318
4-(4-propan-2-ylcyclohexyl)pyridine
CID 140629091
(4-pyridin-4-ylpiperidin-2-yl)methanol
CID 117258661
2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 117049092

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-ylcyclopentyl)methanamine?
The IUPAC name of (3-pyridin-4-ylcyclopentyl)methanamine (CID 82280551) is (3-pyridin-4-ylcyclopentyl)methanamine.
What is the SMILES notation for (3-pyridin-4-ylcyclopentyl)methanamine?
The canonical SMILES for (3-pyridin-4-ylcyclopentyl)methanamine is NCC1CCC(c2ccncc2)C1.
What is the InChIKey of (3-pyridin-4-ylcyclopentyl)methanamine?
The InChIKey is XJBWQQNCOWEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-8-9-1-2-11(7-9)10-3-5-13-6-4-10/h3-6,9,11H,1-2,7-8,12H2.
What are the key properties of (3-pyridin-4-ylcyclopentyl)methanamine?
(3-pyridin-4-ylcyclopentyl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-ylcyclopentyl)methanamine is sourced from PubChem (CID 82280551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).