1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid

C16H21NO2 — CID 43754606

IUPAC1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
SMILESCC1(C)CCC(NC2CC2)(C(=O)O)c2ccccc21
InChIInChI=1S/C16H21NO2/c1-15(2)9-10-16(14(18)19,17-11-7-8-11)13-6-4-3-5-12(13)15/h3-6,11,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyVMUYTECNYJDEMY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.79
Rot. Bonds3

About 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid

1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid (PubChem CID 43754606) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
PubChem CID43754606
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
SMILESCC1(C)CCC(NC2CC2)(C(=O)O)c2ccccc21
InChIInChI=1S/C16H21NO2/c1-15(2)9-10-16(14(18)19,17-11-7-8-11)13-6-4-3-5-12(13)15/h3-6,11,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyVMUYTECNYJDEMY-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 55232986
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol
CID 61045098
2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60795603
1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid
CID 114229314
1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide
CID 66188671
methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 60797313
1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 43803732
4-[2-[8-(cyclopropylamino)-5,5,8-trimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
CID 70259589
4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide
CID 60795674
1',1'-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydronaphthalene]-4-carboxylic acid
CID 80500616

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid (CID 43754606) is 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid is CC1(C)CCC(NC2CC2)(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
The InChIKey is VMUYTECNYJDEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-15(2)9-10-16(14(18)19,17-11-7-8-11)13-6-4-3-5-12(13)15/h3-6,11,17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 43754606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).