4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide

C11H22N2O2 — CID 102628940

IUPAC4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCONC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C11H22N2O2/c1-7-9(12)6-5-8(11(7,2)3)10(14)13-15-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyHOJLYSGUUMELGG-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.06
Rot. Bonds2

About 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628940) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628940
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCONC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C11H22N2O2/c1-7-9(12)6-5-8(11(7,2)3)10(14)13-15-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyHOJLYSGUUMELGG-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide 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-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322683
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628630
4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628653
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 102628934
4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629161
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
CID 102628205
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235
2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 102629028

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628940) is 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide is CONC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is HOJLYSGUUMELGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7-9(12)6-5-8(11(7,2)3)10(14)13-15-4/h7-9H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).