(6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

C16H27NO — CID 11776851

IUPAC(6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCCCN(CCC)[C@@H]1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C16H27NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyJTYVLKBMXTUORS-CQSZACIVSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds5

About (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

(6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (PubChem CID 11776851) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
PubChem CID11776851
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCCCN(CCC)[C@@H]1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C16H27NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyJTYVLKBMXTUORS-CQSZACIVSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The IUPAC name of (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (CID 11776851) is (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is CCCN(CCC)[C@@H]1CCC2=C(CCCC2=O)C1.
What is the InChIKey of (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The InChIKey is JTYVLKBMXTUORS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h14H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
(6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one has a molecular weight of 249.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 11776851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).