2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol

C13H22N2O — CID 62013906

IUPAC2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
SMILESCCC(CC)N(CCO)Cc1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-13(4-2)15(8-9-16)11-12-6-5-7-14-10-12/h5-7,10,13,16H,3-4,8-9,11H2,1-2H3
InChIKeyKPYWJQBPHFYUJW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.06
Rot. Bonds7

About 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol

2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol (PubChem CID 62013906) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
PubChem CID62013906
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
SMILESCCC(CC)N(CCO)Cc1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-13(4-2)15(8-9-16)11-12-6-5-7-14-10-12/h5-7,10,13,16H,3-4,8-9,11H2,1-2H3
InChIKeyKPYWJQBPHFYUJW-UHFFFAOYSA-N
XLogP2.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 164636404
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935
2-[(3,4-dimethylphenyl)methyl-pentan-3-ylamino]ethanol
CID 62015496
3-ethylpyridine
CID 10823
2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 62013930
2-[(3-nitrophenyl)methyl-pentan-3-ylamino]ethanol
CID 62014876
4-[[butan-2-yl(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 46988991
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 46997556
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol (CID 62013906) is 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol is CCC(CC)N(CCO)Cc1cccnc1.
What is the InChIKey of 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol?
The InChIKey is KPYWJQBPHFYUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-13(4-2)15(8-9-16)11-12-6-5-7-14-10-12/h5-7,10,13,16H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol?
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 62013906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).