1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide

C13H26N2O2 — CID 115739676

IUPAC1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
SMILESCOC(C)(C)CNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-10-6-5-7-13(14,8-10)11(16)15-9-12(2,3)17-4/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyBNJOEBFMGDMMOR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds4

About 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 115739676) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
PubChem CID115739676
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
SMILESCOC(C)(C)CNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C13H26N2O2/c1-10-6-5-7-13(14,8-10)11(16)15-9-12(2,3)17-4/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyBNJOEBFMGDMMOR-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 65035910
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide (CID 115739676) is 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide is COC(C)(C)CNC(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is BNJOEBFMGDMMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-6-5-7-13(14,8-10)11(16)15-9-12(2,3)17-4/h10H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115739676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).