N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride

C12H23ClN2O2 — CID 166227849

IUPACN-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride
SMILESCC(C)(C)C(=O)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(2,3)10(15)11(16)14-9-6-4-8(13)5-7-9;/h8-9H,4-7,13H2,1-3H3,(H,14,16);1H
InChIKeyDCOWRFJHQXIMMF-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.41
Rot. Bonds2

About N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride

N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride (PubChem CID 166227849) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride
PubChem CID166227849
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC NameN-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride
SMILESCC(C)(C)C(=O)C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(2,3)10(15)11(16)14-9-6-4-8(13)5-7-9;/h8-9H,4-7,13H2,1-3H3,(H,14,16);1H
InChIKeyDCOWRFJHQXIMMF-UHFFFAOYSA-N
XLogP1.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride 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

2-amino-N-(4-aminocyclohexyl)-2-methylpropanamide
CID 62319991
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
N-(4-aminocyclohexyl)-2-fluoro-2-methylpropanamide
CID 126982038
ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
CID 165449507
N-(4-aminocyclohexyl)-2,2-dimethylbutanamide
CID 62678396
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
N-(4-aminocyclohexyl)prop-2-ynamide
CID 79113188
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119479204
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;dihydrochloride
CID 86277381
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride (CID 166227849) is N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride is CC(C)(C)C(=O)C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride?
The InChIKey is DCOWRFJHQXIMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-12(2,3)10(15)11(16)14-9-6-4-8(13)5-7-9;/h8-9H,4-7,13H2,1-3H3,(H,14,16);1H.
What are the key properties of N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride?
N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride is sourced from PubChem (CID 166227849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).