(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone

C14H25NO — CID 116587119

IUPAC(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2CCC(N)C2)CC1C
InChIInChI=1S/C14H25NO/c1-9-3-4-11(7-10(9)2)14(16)12-5-6-13(15)8-12/h9-13H,3-8,15H2,1-2H3
InChIKeyGKASGOGFCGKWFI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.76
Rot. Bonds2

About (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone

(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone (PubChem CID 116587119) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone
PubChem CID116587119
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2CCC(N)C2)CC1C
InChIInChI=1S/C14H25NO/c1-9-3-4-11(7-10(9)2)14(16)12-5-6-13(15)8-12/h9-13H,3-8,15H2,1-2H3
InChIKeyGKASGOGFCGKWFI-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(3,4-dimethylcyclohexyl)methanone
CID 64739226
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
1-[(1R,3S)-3-aminocyclopentyl]ethanone
CID 59688992
1-[(1R,3R)-3-aminocyclopentyl]ethanone
CID 59689000
2-amino-1-(3,4-dimethylcyclohexyl)ethanone
CID 116548380
3-amino-1-(3,4-dimethylcyclohexyl)-2-methylbutan-1-one
CID 116612177
methyl (1S,2R,5S)-5-amino-2-methylcyclohexane-1-carboxylate
CID 155905120
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
CID 103167882
1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoroethanone
CID 64738824
(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate
CID 66031402

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone (CID 116587119) is (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone is CC1CCC(C(=O)C2CCC(N)C2)CC1C.
What is the InChIKey of (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone?
The InChIKey is GKASGOGFCGKWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9-3-4-11(7-10(9)2)14(16)12-5-6-13(15)8-12/h9-13H,3-8,15H2,1-2H3.
What are the key properties of (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone?
(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone has a molecular weight of 223.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 116587119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).