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

C12H24N2O2 — CID 102628653

IUPAC4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-8-10(13)7-6-9(12(8,2)3)11(15)14(4)16-5/h8-10H,6-7,13H2,1-5H3
InChIKeyCYIKAKGBWDUISQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.41
Rot. Bonds2

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

4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide (PubChem CID 102628653) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
PubChem CID102628653
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-8-10(13)7-6-9(12(8,2)3)11(15)14(4)16-5/h8-10H,6-7,13H2,1-5H3
InChIKeyCYIKAKGBWDUISQ-UHFFFAOYSA-N
XLogP1.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628336
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 102628725
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102628342
4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 102628514
4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628819
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-prop-2-enylamino]acetic acid
CID 102629017
(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780666

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide (CID 102628653) is 4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide is CON(C)C(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
The InChIKey is CYIKAKGBWDUISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8-10(13)7-6-9(12(8,2)3)11(15)14(4)16-5/h8-10H,6-7,13H2,1-5H3.
What are the key properties of 4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).