1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol

C15H24N2O — CID 103157099

IUPAC1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccn1)CC1CCCC1
InChIInChI=1S/C15H24N2O/c18-15(11-13-5-1-2-6-13)12-16-10-8-14-7-3-4-9-17-14/h3-4,7,9,13,15-16,18H,1-2,5-6,8,10-12H2
InChIKeyMPBCJKBNLZVSPR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds7

About 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol

1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol (PubChem CID 103157099) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
PubChem CID103157099
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccn1)CC1CCCC1
InChIInChI=1S/C15H24N2O/c18-15(11-13-5-1-2-6-13)12-16-10-8-14-7-3-4-9-17-14/h3-4,7,9,13,15-16,18H,1-2,5-6,8,10-12H2
InChIKeyMPBCJKBNLZVSPR-UHFFFAOYSA-N
XLogP2.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
CID 70411130
1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 101479636
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
(1R)-1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206944
1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206943
(1-cyclobutyl-4-pyridin-2-ylbutan-2-yl)hydrazine
CID 105310094
2-N-cyclopropyl-2-N-methyl-1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 114133382

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol (CID 103157099) is 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol is OC(CNCCc1ccccn1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The InChIKey is MPBCJKBNLZVSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15(11-13-5-1-2-6-13)12-16-10-8-14-7-3-4-9-17-14/h3-4,7,9,13,15-16,18H,1-2,5-6,8,10-12H2.
What are the key properties of 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol?
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 103157099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).