[6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate

C19H29NO2 — CID 56999318

IUPAC[6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
SMILESCCCN(CCC)C1CCc2c(OC(C)=O)cccc2C1C
InChIInChI=1S/C19H29NO2/c1-5-12-20(13-6-2)18-11-10-17-16(14(18)3)8-7-9-19(17)22-15(4)21/h7-9,14,18H,5-6,10-13H2,1-4H3
InChIKeyWFXCLFHNAFKYJS-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.15
Rot. Bonds6

About [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate

[6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate (PubChem CID 56999318) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate.

Molecular Properties

Compound Name[6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
PubChem CID56999318
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
SMILESCCCN(CCC)C1CCc2c(OC(C)=O)cccc2C1C
InChIInChI=1S/C19H29NO2/c1-5-12-20(13-6-2)18-11-10-17-16(14(18)3)8-7-9-19(17)22-15(4)21/h7-9,14,18H,5-6,10-13H2,1-4H3
InChIKeyWFXCLFHNAFKYJS-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate?
The IUPAC name of [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate (CID 56999318) is [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate.
What is the SMILES notation for [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate?
The canonical SMILES for [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate is CCCN(CCC)C1CCc2c(OC(C)=O)cccc2C1C.
What is the InChIKey of [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate?
The InChIKey is WFXCLFHNAFKYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-5-12-20(13-6-2)18-11-10-17-16(14(18)3)8-7-9-19(17)22-15(4)21/h7-9,14,18H,5-6,10-13H2,1-4H3.
What are the key properties of [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate?
[6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate has a molecular weight of 303.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate is sourced from PubChem (CID 56999318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).