methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate

C19H29NO2 — CID 14943413

IUPACmethyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCCN(CCC)[C@H]1CCc2cccc(C(=O)OC)c2[C@H]1C
InChIInChI=1S/C19H29NO2/c1-5-12-20(13-6-2)17-11-10-15-8-7-9-16(19(21)22-4)18(15)14(17)3/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17-/m0/s1
InChIKeyZXWIDAPGUOZUDB-YOEHRIQHSA-N
MW303.45 g/mol
LogP4.01
Rot. Bonds6

About methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate

methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 14943413) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID14943413
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Namemethyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCCN(CCC)[C@H]1CCc2cccc(C(=O)OC)c2[C@H]1C
InChIInChI=1S/C19H29NO2/c1-5-12-20(13-6-2)17-11-10-15-8-7-9-16(19(21)22-4)18(15)14(17)3/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17-/m0/s1
InChIKeyZXWIDAPGUOZUDB-YOEHRIQHSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-((S)-1-Propyl-piperidin-3-yl)-benzoic acid methyl ester
CID 10355305
2-Dipropylamino-8-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene
CID 10108245
8-Carboxy-2-(dipropylamino)tetralin
CID 10378687
methyl (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 44371818
7-Dipropylamino-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester
CID 10085584
(S)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester
CID 10379425
(7R,8S)-7-Dipropylamino-8-methyl-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester
CID 11722531
Ethyl 4-[2-[6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]benzoate
CID 44353412
(5S,6R)-5-Methyl-6-propylamino-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester
CID 44374431
Methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride
CID 45259903
methyl (1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxylate
CID 178316210
Methyl 7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 49823633

Frequently Asked Questions

What is the IUPAC name of methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 14943413) is methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate is CCCN(CCC)[C@H]1CCc2cccc(C(=O)OC)c2[C@H]1C.
What is the InChIKey of methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is ZXWIDAPGUOZUDB-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H29NO2/c1-5-12-20(13-6-2)17-11-10-15-8-7-9-16(19(21)22-4)18(15)14(17)3/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17-/m0/s1.
What are the key properties of methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 303.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 14943413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).