2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

C14H21NO2 — CID 87179284

IUPAC2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)CNOC1CCC2CC=CC=C2C1=O
InChIInChI=1S/C14H21NO2/c1-10(2)9-15-17-13-8-7-11-5-3-4-6-12(11)14(13)16/h3-4,6,10-11,13,15H,5,7-9H2,1-2H3
InChIKeyDLWUNNNDOYBWKC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds4

About 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (PubChem CID 87179284) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
PubChem CID87179284
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)CNOC1CCC2CC=CC=C2C1=O
InChIInChI=1S/C14H21NO2/c1-10(2)9-15-17-13-8-7-11-5-3-4-6-12(11)14(13)16/h3-4,6,10-11,13,15H,5,7-9H2,1-2H3
InChIKeyDLWUNNNDOYBWKC-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (CID 87179284) is 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is CC(C)CNOC1CCC2CC=CC=C2C1=O.
What is the InChIKey of 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The InChIKey is DLWUNNNDOYBWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)9-15-17-13-8-7-11-5-3-4-6-12(11)14(13)16/h3-4,6,10-11,13,15H,5,7-9H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)oxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 87179284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).