[1-(aminomethyl)cyclobutyl]-phenylmethanone

C12H15NO — CID 116600332

IUPAC[1-(aminomethyl)cyclobutyl]-phenylmethanone
SMILESNCC1(C(=O)c2ccccc2)CCC1
InChIInChI=1S/C12H15NO/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2
InChIKeyDRLMRJUJABOZNB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.00
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-phenylmethanone

[1-(aminomethyl)cyclobutyl]-phenylmethanone (PubChem CID 116600332) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-phenylmethanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-phenylmethanone
PubChem CID116600332
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name[1-(aminomethyl)cyclobutyl]-phenylmethanone
SMILESNCC1(C(=O)c2ccccc2)CCC1
InChIInChI=1S/C12H15NO/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2
InChIKeyDRLMRJUJABOZNB-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
CID 116600291
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
[1-(aminomethyl)cyclopropyl]-(2-hydroxyphenyl)methanone
CID 105444935
[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
CID 116600303
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-phenylmethanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-phenylmethanone (CID 116600332) is [1-(aminomethyl)cyclobutyl]-phenylmethanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-phenylmethanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-phenylmethanone is NCC1(C(=O)c2ccccc2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-phenylmethanone?
The InChIKey is DRLMRJUJABOZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-phenylmethanone?
[1-(aminomethyl)cyclobutyl]-phenylmethanone has a molecular weight of 189.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-phenylmethanone is sourced from PubChem (CID 116600332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).