(NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine

C11H18N2O — CID 21258591

IUPAC(NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCNC1CCC2=C(CCC/C2=N\O)C1
InChIInChI=1S/C11H18N2O/c1-12-9-5-6-10-8(7-9)3-2-4-11(10)13-14/h9,12,14H,2-7H2,1H3/b13-11+
InChIKeyMGGPJVGXXZHAFV-ACCUITESSA-N
MW194.28 g/mol
LogP2.07
Rot. Bonds1

About (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine

(NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 21258591) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID21258591
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCNC1CCC2=C(CCC/C2=N\O)C1
InChIInChI=1S/C11H18N2O/c1-12-9-5-6-10-8(7-9)3-2-4-11(10)13-14/h9,12,14H,2-7H2,1H3/b13-11+
InChIKeyMGGPJVGXXZHAFV-ACCUITESSA-N
XLogP2.07
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 21258591) is (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is CNC1CCC2=C(CCC/C2=N\O)C1.
What is the InChIKey of (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is MGGPJVGXXZHAFV-ACCUITESSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-9-5-6-10-8(7-9)3-2-4-11(10)13-14/h9,12,14H,2-7H2,1H3/b13-11+.
What are the key properties of (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 194.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[6-(methylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 21258591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).