2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol

C12H18N2O — CID 115673926

IUPAC2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol
SMILESOCCC1(NCc2cccnc2)CCC1
InChIInChI=1S/C12H18N2O/c15-8-6-12(4-2-5-12)14-10-11-3-1-7-13-9-11/h1,3,7,9,14-15H,2,4-6,8,10H2
InChIKeyLPHNGHACQRWCND-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds5

About 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol

2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol (PubChem CID 115673926) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol
PubChem CID115673926
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol
SMILESOCCC1(NCc2cccnc2)CCC1
InChIInChI=1S/C12H18N2O/c15-8-6-12(4-2-5-12)14-10-11-3-1-7-13-9-11/h1,3,7,9,14-15H,2,4-6,8,10H2
InChIKeyLPHNGHACQRWCND-UHFFFAOYSA-N
XLogP1.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 70482960
1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine
CID 91068579
1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 28702750
2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol
CID 115673985
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673984
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
[3-methyl-1-(2-pyridin-3-ylethylamino)cyclohexyl]methanol
CID 63265044
1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid
CID 71564992
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 103735457

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol?
The IUPAC name of 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol (CID 115673926) is 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol?
The canonical SMILES for 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol is OCCC1(NCc2cccnc2)CCC1.
What is the InChIKey of 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol?
The InChIKey is LPHNGHACQRWCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-8-6-12(4-2-5-12)14-10-11-3-1-7-13-9-11/h1,3,7,9,14-15H,2,4-6,8,10H2.
What are the key properties of 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol?
2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol is sourced from PubChem (CID 115673926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).