(NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine

C10H18N2O — CID 16761721

IUPAC(NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine
SMILESCN1CC/C(=N\O)C2CCCCC21
InChIInChI=1S/C10H18N2O/c1-12-7-6-9(11-13)8-4-2-3-5-10(8)12/h8,10,13H,2-7H2,1H3/b11-9+
InChIKeyVLFXIXTWZUYHAF-PKNBQFBNSA-N
MW182.27 g/mol
LogP1.71
Rot. Bonds

About (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine

(NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine (PubChem CID 16761721) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine
PubChem CID16761721
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine
SMILESCN1CC/C(=N\O)C2CCCCC21
InChIInChI=1S/C10H18N2O/c1-12-7-6-9(11-13)8-4-2-3-5-10(8)12/h8,10,13H,2-7H2,1H3/b11-9+
InChIKeyVLFXIXTWZUYHAF-PKNBQFBNSA-N
XLogP1.71
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine (CID 16761721) is (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine is CN1CC/C(=N\O)C2CCCCC21.
What is the InChIKey of (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine?
The InChIKey is VLFXIXTWZUYHAF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-7-6-9(11-13)8-4-2-3-5-10(8)12/h8,10,13H,2-7H2,1H3/b11-9+.
What are the key properties of (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine?
(NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine has a molecular weight of 182.27 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine is sourced from PubChem (CID 16761721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).