2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone

C18H25NO — CID 114607601

IUPAC2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
SMILESNC1(CC(=O)c2cccc(C3CCC3)c2)CCCCC1
InChIInChI=1S/C18H25NO/c19-18(10-2-1-3-11-18)13-17(20)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12,14H,1-4,6-7,10-11,13,19H2
InChIKeyOKMDYFOLCLQXBW-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.19
Rot. Bonds4

About 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone

2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone (PubChem CID 114607601) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
PubChem CID114607601
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
SMILESNC1(CC(=O)c2cccc(C3CCC3)c2)CCCCC1
InChIInChI=1S/C18H25NO/c19-18(10-2-1-3-11-18)13-17(20)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12,14H,1-4,6-7,10-11,13,19H2
InChIKeyOKMDYFOLCLQXBW-UHFFFAOYSA-N
XLogP4.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone (CID 114607601) is 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone is NC1(CC(=O)c2cccc(C3CCC3)c2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone?
The InChIKey is OKMDYFOLCLQXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c19-18(10-2-1-3-11-18)13-17(20)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12,14H,1-4,6-7,10-11,13,19H2.
What are the key properties of 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone?
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone has a molecular weight of 271.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone is sourced from PubChem (CID 114607601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).