methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate

C15H19NO2 — CID 60797313

IUPACmethyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c1-18-14(17)15(16-12-8-9-12)10-4-6-11-5-2-3-7-13(11)15/h2-3,5,7,12,16H,4,6,8-10H2,1H3
InChIKeyQHCVIQWEWIEZKW-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.14
Rot. Bonds3

About methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate

methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate (PubChem CID 60797313) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
PubChem CID60797313
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c1-18-14(17)15(16-12-8-9-12)10-4-6-11-5-2-3-7-13(11)15/h2-3,5,7,12,16H,4,6,8-10H2,1H3
InChIKeyQHCVIQWEWIEZKW-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate
CID 60998070
methyl 1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 54895148
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
methyl 1-(2-azidoethylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 66191017
1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235885
methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
CID 122463415
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
methyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 54892661
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
methyl 2'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylate
CID 79298955
1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 43754606
methyl 1-(3-azidopropylamino)-2,3-dihydroindene-1-carboxylate
CID 66189713

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate (CID 60797313) is methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate is COC(=O)C1(NC2CC2)CCCc2ccccc21.
What is the InChIKey of methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate?
The InChIKey is QHCVIQWEWIEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-14(17)15(16-12-8-9-12)10-4-6-11-5-2-3-7-13(11)15/h2-3,5,7,12,16H,4,6,8-10H2,1H3.
What are the key properties of methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate?
methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate is sourced from PubChem (CID 60797313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).