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

C14H22N2O — CID 103157191

IUPAC1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cccnc1)CC1CCCC1
InChIInChI=1S/C14H22N2O/c17-14(8-12-4-1-2-5-12)11-16-10-13-6-3-7-15-9-13/h3,6-7,9,12,14,16-17H,1-2,4-5,8,10-11H2
InChIKeyBPRBUQPXFMIDBL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.11
Rot. Bonds6

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

1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol (PubChem CID 103157191) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
PubChem CID103157191
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cccnc1)CC1CCCC1
InChIInChI=1S/C14H22N2O/c17-14(8-12-4-1-2-5-12)11-16-10-13-6-3-7-15-9-13/h3,6-7,9,12,14,16-17H,1-2,4-5,8,10-11H2
InChIKeyBPRBUQPXFMIDBL-UHFFFAOYSA-N
XLogP2.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827
(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol
CID 94252864
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
1-cyclopentyl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 103158149
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 103157723
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736202
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
CID 105139079
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
(1-cyclohexyl-4-pyridin-3-ylbutan-2-yl)hydrazine
CID 105296236

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol (CID 103157191) is 1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol is OC(CNCc1cccnc1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol?
The InChIKey is BPRBUQPXFMIDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-14(8-12-4-1-2-5-12)11-16-10-13-6-3-7-15-9-13/h3,6-7,9,12,14,16-17H,1-2,4-5,8,10-11H2.
What are the key properties of 1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol?
1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 103157191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).