1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol

C13H20N2O2 — CID 114056274

IUPAC1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
SMILESCC(O)c1cccnc1N(CCO)C1CCC1
InChIInChI=1S/C13H20N2O2/c1-10(17)12-6-3-7-14-13(12)15(8-9-16)11-4-2-5-11/h3,6-7,10-11,16-17H,2,4-5,8-9H2,1H3
InChIKeyIYUCWIUBXJUNQF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol

1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol (PubChem CID 114056274) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
PubChem CID114056274
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
SMILESCC(O)c1cccnc1N(CCO)C1CCC1
InChIInChI=1S/C13H20N2O2/c1-10(17)12-6-3-7-14-13(12)15(8-9-16)11-4-2-5-11/h3,6-7,10-11,16-17H,2,4-5,8-9H2,1H3
InChIKeyIYUCWIUBXJUNQF-UHFFFAOYSA-N
XLogP1.49
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde
CID 114055510
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
CID 114055774
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
CID 114055612

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol?
The IUPAC name of 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol (CID 114056274) is 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol is CC(O)c1cccnc1N(CCO)C1CCC1.
What is the InChIKey of 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol?
The InChIKey is IYUCWIUBXJUNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(17)12-6-3-7-14-13(12)15(8-9-16)11-4-2-5-11/h3,6-7,10-11,16-17H,2,4-5,8-9H2,1H3.
What are the key properties of 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol?
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114056274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).