methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate

C18H25NO2 — CID 57424234

IUPACmethyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C)(C)CCC2N(C)C1CC1
InChIInChI=1S/C18H25NO2/c1-18(2)10-9-16(19(3)13-6-7-13)14-8-5-12(11-15(14)18)17(20)21-4/h5,8,11,13,16H,6-7,9-10H2,1-4H3
InChIKeyLKRXDBCPBCYYTE-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.68
Rot. Bonds3

About methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate

methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate (PubChem CID 57424234) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate
PubChem CID57424234
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Namemethyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C)(C)CCC2N(C)C1CC1
InChIInChI=1S/C18H25NO2/c1-18(2)10-9-16(19(3)13-6-7-13)14-8-5-12(11-15(14)18)17(20)21-4/h5,8,11,13,16H,6-7,9-10H2,1-4H3
InChIKeyLKRXDBCPBCYYTE-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate with MolForge

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Related Compounds

methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl 3,3-dimethyl-2H-1-benzofuran-5-carboxylate
CID 118098434
6-acetyl-4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbaldehyde
CID 142633936
methyl 4-amino-3-[methyl-(4-methylcyclohexyl)amino]benzoate
CID 82785655
methyl 5-hydroxy-5-methyl-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylate
CID 162953914
methyl 4-cyclopropyl-3-[methyl(oxido)amino]benzoate
CID 163773913
methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate
CID 22944033
methyl 4-amino-3-[cycloheptyl(methyl)amino]benzoate
CID 82785545
trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
methyl 6-[(E)-N-methoxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]naphthalene-2-carboxylate
CID 10622500
methyl (3R)-3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carboxylate
CID 155905394
methyl 3-[(4-methoxycarbonylbenzoyl)amino]-4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate
CID 10649845

Frequently Asked Questions

What is the IUPAC name of methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate?
The IUPAC name of methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate (CID 57424234) is methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate?
The canonical SMILES for methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(C)(C)CCC2N(C)C1CC1.
What is the InChIKey of methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate?
The InChIKey is LKRXDBCPBCYYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2)10-9-16(19(3)13-6-7-13)14-8-5-12(11-15(14)18)17(20)21-4/h5,8,11,13,16H,6-7,9-10H2,1-4H3.
What are the key properties of methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate?
methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylate is sourced from PubChem (CID 57424234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).