(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol

C15H24N2O — CID 70411130

IUPAC(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
SMILESO[C@H](CNCC1CCCCC1)Cc1ccccn1
InChIInChI=1S/C15H24N2O/c18-15(10-14-8-4-5-9-17-14)12-16-11-13-6-2-1-3-7-13/h4-5,8-9,13,15-16,18H,1-3,6-7,10-12H2/t15-/m0/s1
InChIKeyZDFOPBBKYYDXHB-HNNXBMFYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds6

About (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol

(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol (PubChem CID 70411130) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
PubChem CID70411130
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
SMILESO[C@H](CNCC1CCCCC1)Cc1ccccn1
InChIInChI=1S/C15H24N2O/c18-15(10-14-8-4-5-9-17-14)12-16-11-13-6-2-1-3-7-13/h4-5,8-9,13,15-16,18H,1-3,6-7,10-12H2/t15-/m0/s1
InChIKeyZDFOPBBKYYDXHB-HNNXBMFYSA-N
XLogP2.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide
CID 70412443
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099
2-(cyclohexylmethyl)pyridine
CID 14762660
1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
CID 111104724
1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573237
4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
CID 66459685
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
[1-(7-bicyclo[4.1.0]heptanyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315370
1-cyclohexyl-4-pyridin-2-ylbutan-2-one
CID 105089148
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol?
The IUPAC name of (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol (CID 70411130) is (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol is O[C@H](CNCC1CCCCC1)Cc1ccccn1.
What is the InChIKey of (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol?
The InChIKey is ZDFOPBBKYYDXHB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15(10-14-8-4-5-9-17-14)12-16-11-13-6-2-1-3-7-13/h4-5,8-9,13,15-16,18H,1-3,6-7,10-12H2/t15-/m0/s1.
What are the key properties of (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol?
(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 70411130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).