(5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine

C11H18N2O — CID 21258616

IUPAC(5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
SMILESCO/N=C1\CCCC2=C1CCC(N)C2
InChIInChI=1S/C11H18N2O/c1-14-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h9H,2-7,12H2,1H3/b13-11+
InChIKeyZULROOLMNAZAMW-ACCUITESSA-N
MW194.28 g/mol
LogP1.98
Rot. Bonds1

About (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine

(5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine (PubChem CID 21258616) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name(5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
PubChem CID21258616
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
SMILESCO/N=C1\CCCC2=C1CCC(N)C2
InChIInChI=1S/C11H18N2O/c1-14-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h9H,2-7,12H2,1H3/b13-11+
InChIKeyZULROOLMNAZAMW-ACCUITESSA-N
XLogP1.98
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
The IUPAC name of (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine (CID 21258616) is (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine.
What is the SMILES notation for (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
The canonical SMILES for (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine is CO/N=C1\CCCC2=C1CCC(N)C2.
What is the InChIKey of (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
The InChIKey is ZULROOLMNAZAMW-ACCUITESSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h9H,2-7,12H2,1H3/b13-11+.
What are the key properties of (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine?
(5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-methoxyimino-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine is sourced from PubChem (CID 21258616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).