6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one

C18H31NO — CID 11054983

IUPAC6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one
SMILESCCCN(CCC)C1CCC2=C(C1)CC(C)(C)CC2=O
InChIInChI=1S/C18H31NO/c1-5-9-19(10-6-2)15-7-8-16-14(11-15)12-18(3,4)13-17(16)20/h15H,5-13H2,1-4H3
InChIKeyWBCABFRHFMFUII-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.35
Rot. Bonds5

About 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one

6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one (PubChem CID 11054983) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one.

Molecular Properties

Compound Name6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one
PubChem CID11054983
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one
SMILESCCCN(CCC)C1CCC2=C(C1)CC(C)(C)CC2=O
InChIInChI=1S/C18H31NO/c1-5-9-19(10-6-2)15-7-8-16-14(11-15)12-18(3,4)13-17(16)20/h15H,5-13H2,1-4H3
InChIKeyWBCABFRHFMFUII-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one?
The IUPAC name of 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one (CID 11054983) is 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one.
What is the SMILES notation for 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one?
The canonical SMILES for 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one is CCCN(CCC)C1CCC2=C(C1)CC(C)(C)CC2=O.
What is the InChIKey of 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one?
The InChIKey is WBCABFRHFMFUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-9-19(10-6-2)15-7-8-16-14(11-15)12-18(3,4)13-17(16)20/h15H,5-13H2,1-4H3.
What are the key properties of 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one?
6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one has a molecular weight of 277.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one is sourced from PubChem (CID 11054983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).