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

C17H25NO2 — CID 43803732

IUPAC1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCC(C)(C)c2ccccc21
InChIInChI=1S/C17H25NO2/c1-5-18(6-2)17(15(19)20)12-11-16(3,4)13-9-7-8-10-14(13)17/h7-10H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyMQKOCVNPWDYJRD-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds4

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

1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid (PubChem CID 43803732) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
PubChem CID43803732
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCC(C)(C)c2ccccc21
InChIInChI=1S/C17H25NO2/c1-5-18(6-2)17(15(19)20)12-11-16(3,4)13-9-7-8-10-14(13)17/h7-10H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyMQKOCVNPWDYJRD-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 55232986
1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 43754606
1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid
CID 114229314
1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473
2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-2-hydroxypentanoic acid
CID 83051372
2-[1-(ethylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]acetamide
CID 65234281
(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid
CID 51887898
1-ethyl-2-oxo-3H-indene-1-carboxylic acid
CID 18448916
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-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid (CID 43803732) is 1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid is CCN(CC)C1(C(=O)O)CCC(C)(C)c2ccccc21.
What is the InChIKey of 1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
The InChIKey is MQKOCVNPWDYJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-18(6-2)17(15(19)20)12-11-16(3,4)13-9-7-8-10-14(13)17/h7-10H,5-6,11-12H2,1-4H3,(H,19,20).
What are the key properties of 1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid?
1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 43803732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).