4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one

C16H25NO — CID 91375894

IUPAC4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCNC1=C2CCCC(C)C2(C)C=C(C(C)C)C1=O
InChIInChI=1S/C16H25NO/c1-10(2)12-9-16(4)11(3)7-6-8-13(16)14(17-5)15(12)18/h9-11,17H,6-8H2,1-5H3
InChIKeyAIEDSMRHBCADFI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.45
Rot. Bonds2

About 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one

4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one (PubChem CID 91375894) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID91375894
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCNC1=C2CCCC(C)C2(C)C=C(C(C)C)C1=O
InChIInChI=1S/C16H25NO/c1-10(2)12-9-16(4)11(3)7-6-8-13(16)14(17-5)15(12)18/h9-11,17H,6-8H2,1-5H3
InChIKeyAIEDSMRHBCADFI-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one?
The IUPAC name of 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one (CID 91375894) is 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one.
What is the SMILES notation for 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one?
The canonical SMILES for 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one is CNC1=C2CCCC(C)C2(C)C=C(C(C)C)C1=O.
What is the InChIKey of 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one?
The InChIKey is AIEDSMRHBCADFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10(2)12-9-16(4)11(3)7-6-8-13(16)14(17-5)15(12)18/h9-11,17H,6-8H2,1-5H3.
What are the key properties of 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one?
4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dimethyl-1-(methylamino)-3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one is sourced from PubChem (CID 91375894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).