methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate

C17H24N2O2 — CID 60994641

IUPACmethyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCOC(=O)C1(Nc2cccc(C)c2)CC2CCC(C1)N2C
InChIInChI=1S/C17H24N2O2/c1-12-5-4-6-13(9-12)18-17(16(20)21-3)10-14-7-8-15(11-17)19(14)2/h4-6,9,14-15,18H,7-8,10-11H2,1-3H3
InChIKeyNDEIXXWYVCZRPK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.58
Rot. Bonds3

About methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate

methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 60994641) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID60994641
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namemethyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCOC(=O)C1(Nc2cccc(C)c2)CC2CCC(C1)N2C
InChIInChI=1S/C17H24N2O2/c1-12-5-4-6-13(9-12)18-17(16(20)21-3)10-14-7-8-15(11-17)19(14)2/h4-6,9,14-15,18H,7-8,10-11H2,1-3H3
InChIKeyNDEIXXWYVCZRPK-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate with MolForge

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Related Compounds

methyl 1-(3-methylanilino)-3-propan-2-ylcyclohexane-1-carboxylate
CID 107449378
methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate
CID 62975666
3-(3-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993559
methyl 3-cyclopropyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 64625236
methyl 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 60994222
methyl 5,5-dimethyl-3-(3-methylanilino)thiane-3-carboxylate
CID 79947429
methyl 1-benzyl-5-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate
CID 112742902
1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid
CID 62975481
methyl (1S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 70100630
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
CID 103563298
methyl 2-methyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 54890332

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate (CID 60994641) is methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate is COC(=O)C1(Nc2cccc(C)c2)CC2CCC(C1)N2C.
What is the InChIKey of methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is NDEIXXWYVCZRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-4-6-13(9-12)18-17(16(20)21-3)10-14-7-8-15(11-17)19(14)2/h4-6,9,14-15,18H,7-8,10-11H2,1-3H3.
What are the key properties of methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate?
methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 60994641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).