methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate

C18H33NO2 — CID 115999242

IUPACmethyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC2CCCCC2)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H33NO2/c1-16(2)11-17(3,4)13-18(12-16,15(20)21-5)19-14-9-7-6-8-10-14/h14,19H,6-13H2,1-5H3
InChIKeyHKROGKOQWWFKRT-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.06
Rot. Bonds3

About methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate

methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate (PubChem CID 115999242) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
PubChem CID115999242
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Namemethyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC2CCCCC2)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H33NO2/c1-16(2)11-17(3,4)13-18(12-16,15(20)21-5)19-14-9-7-6-8-10-14/h14,19H,6-13H2,1-5H3
InChIKeyHKROGKOQWWFKRT-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate
CID 64514041
methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate
CID 64746251
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 1-(cyclopentylamino)-3-methylcyclopentane-1-carboxylate
CID 64513580
1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
CID 80706275
methyl 4-(cycloheptylamino)oxepane-4-carboxylate
CID 65079295
methyl 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylate
CID 62976040
1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxamide
CID 112682408
methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60999032
1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 60998427
methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate
CID 65094509

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate (CID 115999242) is methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate is COC(=O)C1(NC2CCCCC2)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate?
The InChIKey is HKROGKOQWWFKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-16(2)11-17(3,4)13-18(12-16,15(20)21-5)19-14-9-7-6-8-10-14/h14,19H,6-13H2,1-5H3.
What are the key properties of methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate?
methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate is sourced from PubChem (CID 115999242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).