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

C19H29NO2 — CID 11722531

IUPACmethyl (7R,8S)-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-/m1/s1
InChIKeyZXWIDAPGUOZUDB-RHSMWYFYSA-N
MW303.45 g/mol
LogP4.01
Rot. Bonds6

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

methyl (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 11722531) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is methyl (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID11722531
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Namemethyl (7R,8S)-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-/m1/s1
InChIKeyZXWIDAPGUOZUDB-RHSMWYFYSA-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

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Frequently Asked Questions

What is the IUPAC name of methyl (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 11722531) is methyl (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl (7R,8S)-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 (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is ZXWIDAPGUOZUDB-RHSMWYFYSA-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-/m1/s1.
What are the key properties of methyl (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
methyl (7R,8S)-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 (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 11722531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).