(1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine

C13H21N2P — CID 156624677

IUPAC(1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccccn1)C1CCCC1P
InChIInChI=1S/C13H21N2P/c1-10(12-6-4-7-13(12)16)15-9-11-5-2-3-8-14-11/h2-3,5,8,10,12-13,15H,4,6-7,9,16H2,1H3/t10-,12?,13?/m0/s1
InChIKeyHPTNCMQOZYNZBU-PKSQDBQZSA-N
MW236.30 g/mol
LogP2.60
Rot. Bonds4

About (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine

(1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 156624677) has the molecular formula C13H21N2P and a molecular weight of 236.30 g/mol. Its IUPAC name is (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID156624677
Molecular FormulaC13H21N2P
Molecular Weight236.30 g/mol
Exact Mass236.14
IUPAC Name(1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccccn1)C1CCCC1P
InChIInChI=1S/C13H21N2P/c1-10(12-6-4-7-13(12)16)15-9-11-5-2-3-8-14-11/h2-3,5,8,10,12-13,15H,4,6-7,9,16H2,1H3/t10-,12?,13?/m0/s1
InChIKeyHPTNCMQOZYNZBU-PKSQDBQZSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 156624679
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
(1R)-1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206944
1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206943
1-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43363176
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115768543
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine (CID 156624677) is (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine is C[C@H](NCc1ccccn1)C1CCCC1P.
What is the InChIKey of (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is HPTNCMQOZYNZBU-PKSQDBQZSA-N. The full InChI is InChI=1S/C13H21N2P/c1-10(12-6-4-7-13(12)16)15-9-11-5-2-3-8-14-11/h2-3,5,8,10,12-13,15H,4,6-7,9,16H2,1H3/t10-,12?,13?/m0/s1.
What are the key properties of (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine?
(1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 236.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 156624677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).