[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone

C13H24N2O — CID 80599736

IUPAC[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)C1(CN)CCC1
InChIInChI=1S/C13H24N2O/c1-11-6-3-2-4-9-15(11)12(16)13(10-14)7-5-8-13/h11H,2-10,14H2,1H3
InChIKeyRJFYKLMRJZPUPT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds2

About [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone

[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone (PubChem CID 80599736) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone
PubChem CID80599736
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)C1(CN)CCC1
InChIInChI=1S/C13H24N2O/c1-11-6-3-2-4-9-15(11)12(16)13(10-14)7-5-8-13/h11H,2-10,14H2,1H3
InChIKeyRJFYKLMRJZPUPT-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743006
methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 113311614
ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 115448178
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510
[1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone
CID 113310838
2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
CID 79854226
(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone
CID 178203118
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 82747221
[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone
CID 116639879
[1-(aminomethyl)cyclopentyl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79938244

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone (CID 80599736) is [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone is CC1CCCCCN1C(=O)C1(CN)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone?
The InChIKey is RJFYKLMRJZPUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-6-3-2-4-9-15(11)12(16)13(10-14)7-5-8-13/h11H,2-10,14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 80599736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).