2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone

C12H16N2O — CID 116599471

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone
SMILESNCC1(CC(=O)c2cccnc2)CCC1
InChIInChI=1S/C12H16N2O/c13-9-12(4-2-5-12)7-11(15)10-3-1-6-14-8-10/h1,3,6,8H,2,4-5,7,9,13H2
InChIKeyWSTGZHDVDNWSLZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone

2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone (PubChem CID 116599471) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone
PubChem CID116599471
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone
SMILESNCC1(CC(=O)c2cccnc2)CCC1
InChIInChI=1S/C12H16N2O/c13-9-12(4-2-5-12)7-11(15)10-3-1-6-14-8-10/h1,3,6,8H,2,4-5,7,9,13H2
InChIKeyWSTGZHDVDNWSLZ-UHFFFAOYSA-N
XLogP1.78
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone
CID 116599519
2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone
CID 116614429
2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 104678520
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110631539
2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
CID 116614423
2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone
CID 116599367
CID 172748531
CID 172748531
1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
CID 116921877
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
3-oxo-3-pyridin-3-ylpropanehydrazide
CID 150015439

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone (CID 116599471) is 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone is NCC1(CC(=O)c2cccnc2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone?
The InChIKey is WSTGZHDVDNWSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-9-12(4-2-5-12)7-11(15)10-3-1-6-14-8-10/h1,3,6,8H,2,4-5,7,9,13H2.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone?
2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone has a molecular weight of 204.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone is sourced from PubChem (CID 116599471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).