2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one

C13H19NO — CID 21419386

IUPAC2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)NC1CCC2=C(C=CCC2)C1=O
InChIInChI=1S/C13H19NO/c1-9(2)14-12-8-7-10-5-3-4-6-11(10)13(12)15/h4,6,9,12,14H,3,5,7-8H2,1-2H3
InChIKeyJFTHULUIHLUBIL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.36
Rot. Bonds2

About 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one

2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one (PubChem CID 21419386) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one
PubChem CID21419386
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)NC1CCC2=C(C=CCC2)C1=O
InChIInChI=1S/C13H19NO/c1-9(2)14-12-8-7-10-5-3-4-6-11(10)13(12)15/h4,6,9,12,14H,3,5,7-8H2,1-2H3
InChIKeyJFTHULUIHLUBIL-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one (CID 21419386) is 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one is CC(C)NC1CCC2=C(C=CCC2)C1=O.
What is the InChIKey of 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
The InChIKey is JFTHULUIHLUBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)14-12-8-7-10-5-3-4-6-11(10)13(12)15/h4,6,9,12,14H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 21419386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).