methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate

C19H23NO2 — CID 90026962

IUPACmethyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(NC3CCC(C)CC3)ccc2c1
InChIInChI=1S/C19H23NO2/c1-13-3-8-17(9-4-13)20-18-10-7-14-11-16(19(21)22-2)6-5-15(14)12-18/h5-7,10-13,17,20H,3-4,8-9H2,1-2H3
InChIKeyDBARDECHZWFUKU-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.62
Rot. Bonds3

About methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate

methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate (PubChem CID 90026962) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate
PubChem CID90026962
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namemethyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(NC3CCC(C)CC3)ccc2c1
InChIInChI=1S/C19H23NO2/c1-13-3-8-17(9-4-13)20-18-10-7-14-11-16(19(21)22-2)6-5-15(14)12-18/h5-7,10-13,17,20H,3-4,8-9H2,1-2H3
InChIKeyDBARDECHZWFUKU-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde
CID 90026924
methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
CID 17217884
N-[4-[(6-acetylnaphthalen-2-yl)amino]cyclohexyl]acetamide
CID 118980727
1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone
CID 121245244
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
methyl 4-(cyclopropylamino)-3-fluorobenzoate
CID 139271670
methyl 2-amino-5-(cyclopropylamino)benzoate
CID 61311715
methyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112867586
ethane;methyl naphthalene-2-carboxylate
CID 143895262
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate?
The IUPAC name of methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate (CID 90026962) is methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate is COC(=O)c1ccc2cc(NC3CCC(C)CC3)ccc2c1.
What is the InChIKey of methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate?
The InChIKey is DBARDECHZWFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-3-8-17(9-4-13)20-18-10-7-14-11-16(19(21)22-2)6-5-15(14)12-18/h5-7,10-13,17,20H,3-4,8-9H2,1-2H3.
What are the key properties of methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate?
methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate is sourced from PubChem (CID 90026962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).