6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one

C13H17NO — CID 83819619

IUPAC6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)Nc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C13H17NO/c1-9(2)14-11-6-7-12-10(8-11)4-3-5-13(12)15/h6-9,14H,3-5H2,1-2H3
InChIKeyTZZOCNPNYABVST-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.03
Rot. Bonds2

About 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one

6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 83819619) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID83819619
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)Nc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C13H17NO/c1-9(2)14-11-6-7-12-10(8-11)4-3-5-13(12)15/h6-9,14H,3-5H2,1-2H3
InChIKeyTZZOCNPNYABVST-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one (CID 83819619) is 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one is CC(C)Nc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is TZZOCNPNYABVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)14-11-6-7-12-10(8-11)4-3-5-13(12)15/h6-9,14H,3-5H2,1-2H3.
What are the key properties of 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one?
6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 203.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 83819619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).