3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol

C13H20N2O2 — CID 102869240

IUPAC3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCN(c1ncccc1CO)C1CCC1
InChIInChI=1S/C13H20N2O2/c16-9-3-8-15(12-5-1-6-12)13-11(10-17)4-2-7-14-13/h2,4,7,12,16-17H,1,3,5-6,8-10H2
InChIKeyITIZSLIGCCZPOW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds6

About 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol

3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 102869240) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID102869240
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCN(c1ncccc1CO)C1CCC1
InChIInChI=1S/C13H20N2O2/c16-9-3-8-15(12-5-1-6-12)13-11(10-17)4-2-7-14-13/h2,4,7,12,16-17H,1,3,5-6,8-10H2
InChIKeyITIZSLIGCCZPOW-UHFFFAOYSA-N
XLogP1.32
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[butyl(cyclopropyl)amino]-3-pyridinyl]methanol
CID 61445710
2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
CID 102863145
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
CID 114055612
3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 114215177
[2-[cyclopropyl(ethyl)amino]-3-pyridinyl]methanol
CID 61257683
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 107055806
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
3-[2-chloro-N-cyclobutyl-6-(hydroxymethyl)anilino]propan-1-ol
CID 114067557
3-[cyclobutyl-[3-(hydroxymethyl)isoquinolin-1-yl]amino]propan-1-ol
CID 102869258
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol
CID 102859911

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol (CID 102869240) is 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol is OCCCN(c1ncccc1CO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is ITIZSLIGCCZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-9-3-8-15(12-5-1-6-12)13-11(10-17)4-2-7-14-13/h2,4,7,12,16-17H,1,3,5-6,8-10H2.
What are the key properties of 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol?
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 102869240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).