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

Analyze methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).