2-amino-1-(3,4-dimethylcyclohexyl)ethanone

C10H19NO — CID 116548380

IUPAC2-amino-1-(3,4-dimethylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)CN)CC1C
InChIInChI=1S/C10H19NO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h7-9H,3-6,11H2,1-2H3
InChIKeyLLHVFWGLHZJHFX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.59
Rot. Bonds2

About 2-amino-1-(3,4-dimethylcyclohexyl)ethanone

2-amino-1-(3,4-dimethylcyclohexyl)ethanone (PubChem CID 116548380) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethylcyclohexyl)ethanone
PubChem CID116548380
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-amino-1-(3,4-dimethylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)CN)CC1C
InChIInChI=1S/C10H19NO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h7-9H,3-6,11H2,1-2H3
InChIKeyLLHVFWGLHZJHFX-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(3,4-dimethylcyclohexyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(3,4-dimethylcyclohexyl)butan-1-one
CID 116553232
3-amino-1-(3,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116581016
2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
CID 103167882
1-(3,4-dimethylcyclohexyl)but-3-en-1-one
CID 116659531
2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396
1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone
CID 105105339
1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-one
CID 79953893
4-(2-aminoethyl)-1-(3,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-one
CID 116578415
1-(3,4-dimethylcyclohexyl)-2-propylsulfanylethanone
CID 65129585
1-(3,4-dimethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanone
CID 65137650
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 114975460
(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone
CID 116587119

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethylcyclohexyl)ethanone?
The IUPAC name of 2-amino-1-(3,4-dimethylcyclohexyl)ethanone (CID 116548380) is 2-amino-1-(3,4-dimethylcyclohexyl)ethanone.
What is the SMILES notation for 2-amino-1-(3,4-dimethylcyclohexyl)ethanone?
The canonical SMILES for 2-amino-1-(3,4-dimethylcyclohexyl)ethanone is CC1CCC(C(=O)CN)CC1C.
What is the InChIKey of 2-amino-1-(3,4-dimethylcyclohexyl)ethanone?
The InChIKey is LLHVFWGLHZJHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-dimethylcyclohexyl)ethanone?
2-amino-1-(3,4-dimethylcyclohexyl)ethanone has a molecular weight of 169.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethylcyclohexyl)ethanone is sourced from PubChem (CID 116548380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).