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

C18H27NO2 — CID 10108245

IUPACmethyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCCN(CCC)C1CCc2cccc(C(=O)OC)c2C1
InChIInChI=1S/C18H27NO2/c1-4-11-19(12-5-2)15-10-9-14-7-6-8-16(17(14)13-15)18(20)21-3/h6-8,15H,4-5,9-13H2,1-3H3
InChIKeyPAAKORCQGYIBPE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.45
Rot. Bonds6

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

methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 10108245) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID10108245
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namemethyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCCN(CCC)C1CCc2cccc(C(=O)OC)c2C1
InChIInChI=1S/C18H27NO2/c1-4-11-19(12-5-2)15-10-9-14-7-6-8-16(17(14)13-15)18(20)21-3/h6-8,15H,4-5,9-13H2,1-3H3
InChIKeyPAAKORCQGYIBPE-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 10108245) is methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is CCCN(CCC)C1CCc2cccc(C(=O)OC)c2C1.
What is the InChIKey of methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is PAAKORCQGYIBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-11-19(12-5-2)15-10-9-14-7-6-8-16(17(14)13-15)18(20)21-3/h6-8,15H,4-5,9-13H2,1-3H3.
What are the key properties of methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 10108245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).