methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate

C12H23NO2 — CID 60787418

IUPACmethyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-9-6-11(2,3)8-12(7-9,13-4)10(14)15-5/h9,13H,6-8H2,1-5H3
InChIKeyVISQIEMFSXOPJO-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds2

About methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate

methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 60787418) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID60787418
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-9-6-11(2,3)8-12(7-9,13-4)10(14)15-5/h9,13H,6-8H2,1-5H3
InChIKeyVISQIEMFSXOPJO-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate
CID 60787698
methyl 1-(4-bromoanilino)-3,3,5-trimethylcyclohexane-1-carboxylate
CID 63524282
1-(2-methoxyethylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 61340491
1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 60998427
1-(3-hydroxypropylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 114994024
methyl 3-methyl-1-(prop-2-ynylamino)cyclobutane-1-carboxylate
CID 103563578
methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 115999242
methyl 2,4,4-trimethyl-1-(methylamino)cyclohexane-1-carboxylate
CID 81320916
2-[3,3,5-trimethyl-1-(methylaminooxy)cyclohexyl]acetic acid
CID 165457232
1-(3-bromoanilino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 60992999
methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79654195
methyl 1-(cyclopentylamino)-3-methylcyclopentane-1-carboxylate
CID 64513580

Frequently Asked Questions

What is the IUPAC name of methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate (CID 60787418) is methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate is CNC1(C(=O)OC)CC(C)CC(C)(C)C1.
What is the InChIKey of methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is VISQIEMFSXOPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-11(2,3)8-12(7-9,13-4)10(14)15-5/h9,13H,6-8H2,1-5H3.
What are the key properties of methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,5-trimethyl-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 60787418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).