methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate

C18H31NO2 — CID 140515362

IUPACmethyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate
SMILESCOC(=O)C1C(C)C(C2CCCCC2)NC2CCCCC21
InChIInChI=1S/C18H31NO2/c1-12-16(18(20)21-2)14-10-6-7-11-15(14)19-17(12)13-8-4-3-5-9-13/h12-17,19H,3-11H2,1-2H3
InChIKeyGRLDHKXBYHJZOQ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.52
Rot. Bonds2

About methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate

methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate (PubChem CID 140515362) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate
PubChem CID140515362
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Namemethyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate
SMILESCOC(=O)C1C(C)C(C2CCCCC2)NC2CCCCC21
InChIInChI=1S/C18H31NO2/c1-12-16(18(20)21-2)14-10-6-7-11-15(14)19-17(12)13-8-4-3-5-9-13/h12-17,19H,3-11H2,1-2H3
InChIKeyGRLDHKXBYHJZOQ-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate?
The IUPAC name of methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate (CID 140515362) is methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate?
The canonical SMILES for methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate is COC(=O)C1C(C)C(C2CCCCC2)NC2CCCCC21.
What is the InChIKey of methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate?
The InChIKey is GRLDHKXBYHJZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-12-16(18(20)21-2)14-10-6-7-11-15(14)19-17(12)13-8-4-3-5-9-13/h12-17,19H,3-11H2,1-2H3.
What are the key properties of methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate?
methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate has a molecular weight of 293.45 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylate is sourced from PubChem (CID 140515362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).