methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate

C16H29NO2 — CID 64746251

IUPACmethyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC2CCCCC2)CCC(C)C(C)C1
InChIInChI=1S/C16H29NO2/c1-12-9-10-16(11-13(12)2,15(18)19-3)17-14-7-5-4-6-8-14/h12-14,17H,4-11H2,1-3H3
InChIKeyMGXFPHVNZLAIBT-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.28
Rot. Bonds3

About methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate

methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate (PubChem CID 64746251) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate
PubChem CID64746251
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namemethyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC2CCCCC2)CCC(C)C(C)C1
InChIInChI=1S/C16H29NO2/c1-12-9-10-16(11-13(12)2,15(18)19-3)17-14-7-5-4-6-8-14/h12-14,17H,4-11H2,1-3H3
InChIKeyMGXFPHVNZLAIBT-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate
CID 64514041
methyl 1-(cyclopentylamino)-3-methylcyclopentane-1-carboxylate
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methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79653491
methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 115999242
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 79648507
methyl 4-(cycloheptylamino)oxepane-4-carboxylate
CID 65079295
methyl 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylate
CID 62976040
methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60999032
methyl 4-tert-butyl-1-(cyclopentylamino)cycloheptane-1-carboxylate
CID 65094509
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate (CID 64746251) is methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate is COC(=O)C1(NC2CCCCC2)CCC(C)C(C)C1.
What is the InChIKey of methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate?
The InChIKey is MGXFPHVNZLAIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-9-10-16(11-13(12)2,15(18)19-3)17-14-7-5-4-6-8-14/h12-14,17H,4-11H2,1-3H3.
What are the key properties of methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate?
methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 64746251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).