(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone

C16H23NO — CID 116595098

IUPAC(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCCCCC2N)c(C)c1
InChIInChI=1S/C16H23NO/c1-11-8-9-13(12(2)10-11)16(18)14-6-4-3-5-7-15(14)17/h8-10,14-15H,3-7,17H2,1-2H3
InChIKeyAOFIYFKKWUEHMG-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.39
Rot. Bonds2

About (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone

(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone (PubChem CID 116595098) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
PubChem CID116595098
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCCCCC2N)c(C)c1
InChIInChI=1S/C16H23NO/c1-11-8-9-13(12(2)10-11)16(18)14-6-4-3-5-7-15(14)17/h8-10,14-15H,3-7,17H2,1-2H3
InChIKeyAOFIYFKKWUEHMG-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 116580026
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 116580007
2-(2,4-dimethylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918498
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
(2-aminocycloheptyl)-(2-chlorophenyl)methanone
CID 116595085
(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone
CID 116595147
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone (CID 116595098) is (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)C2CCCCCC2N)c(C)c1.
What is the InChIKey of (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone?
The InChIKey is AOFIYFKKWUEHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-8-9-13(12(2)10-11)16(18)14-6-4-3-5-7-15(14)17/h8-10,14-15H,3-7,17H2,1-2H3.
What are the key properties of (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone?
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 116595098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).