2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone

C17H23NO — CID 114607600

IUPAC2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone
SMILESNC1(CC(=O)c2ccccc2C2CCC2)CCCC1
InChIInChI=1S/C17H23NO/c18-17(10-3-4-11-17)12-16(19)15-9-2-1-8-14(15)13-6-5-7-13/h1-2,8-9,13H,3-7,10-12,18H2
InChIKeyTVANORBXYJKIBR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.80
Rot. Bonds4

About 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone

2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone (PubChem CID 114607600) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone
PubChem CID114607600
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone
SMILESNC1(CC(=O)c2ccccc2C2CCC2)CCCC1
InChIInChI=1S/C17H23NO/c18-17(10-3-4-11-17)12-16(19)15-9-2-1-8-14(15)13-6-5-7-13/h1-2,8-9,13H,3-7,10-12,18H2
InChIKeyTVANORBXYJKIBR-UHFFFAOYSA-N
XLogP3.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone
CID 114602016
4-chloro-1-(2-cyclobutylphenyl)butan-1-one
CID 114601922
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116578791
2-cyclopentylbenzohydrazide
CID 68852694
2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623
ethyl 2-cyclobutylbenzoate
CID 106942755
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114601706
1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone
CID 114601876

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone (CID 114607600) is 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone is NC1(CC(=O)c2ccccc2C2CCC2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone?
The InChIKey is TVANORBXYJKIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c18-17(10-3-4-11-17)12-16(19)15-9-2-1-8-14(15)13-6-5-7-13/h1-2,8-9,13H,3-7,10-12,18H2.
What are the key properties of 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone?
2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone has a molecular weight of 257.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone is sourced from PubChem (CID 114607600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).