(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C14H19NO2 — CID 65455967

IUPAC(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCC(C)COc1cccc2c1CCC/C2=N\O
InChIInChI=1S/C14H19NO2/c1-10(2)9-17-14-8-4-5-11-12(14)6-3-7-13(11)15-16/h4-5,8,10,16H,3,6-7,9H2,1-2H3/b15-13+
InChIKeyKEVUWZDKLMZMQX-FYWRMAATSA-N
MW233.31 g/mol
LogP3.24
Rot. Bonds3

About (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 65455967) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID65455967
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCC(C)COc1cccc2c1CCC/C2=N\O
InChIInChI=1S/C14H19NO2/c1-10(2)9-17-14-8-4-5-11-12(14)6-3-7-13(11)15-16/h4-5,8,10,16H,3,6-7,9H2,1-2H3/b15-13+
InChIKeyKEVUWZDKLMZMQX-FYWRMAATSA-N
XLogP3.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]butan-2-ol
CID 77067742
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol
CID 77067604
N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067632
N-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 3532765
(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 80696031
N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067678
2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide
CID 77067652
N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067727
3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide
CID 55182024
N-[5-(2-methylsulfonylethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067781
N-[5-[2-(trifluoromethoxy)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77100333
N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 77067637

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 65455967) is (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is CC(C)COc1cccc2c1CCC/C2=N\O.
What is the InChIKey of (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is KEVUWZDKLMZMQX-FYWRMAATSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)9-17-14-8-4-5-11-12(14)6-3-7-13(11)15-16/h4-5,8,10,16H,3,6-7,9H2,1-2H3/b15-13+.
What are the key properties of (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 233.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 65455967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).