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

C10H18N2O — CID 85312202

IUPACN-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine
SMILESCN1CCCC2C(=NO)CCCC21
InChIInChI=1S/C10H18N2O/c1-12-7-3-4-8-9(11-13)5-2-6-10(8)12/h8,10,13H,2-7H2,1H3
InChIKeyMBNFLSNSHWCBIP-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.71
Rot. Bonds

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

N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine (PubChem CID 85312202) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine
PubChem CID85312202
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine
SMILESCN1CCCC2C(=NO)CCCC21
InChIInChI=1S/C10H18N2O/c1-12-7-3-4-8-9(11-13)5-2-6-10(8)12/h8,10,13H,2-7H2,1H3
InChIKeyMBNFLSNSHWCBIP-UHFFFAOYSA-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 N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine?
The IUPAC name of N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine (CID 85312202) is N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine?
The canonical SMILES for N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine is CN1CCCC2C(=NO)CCCC21.
What is the InChIKey of N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine?
The InChIKey is MBNFLSNSHWCBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-7-3-4-8-9(11-13)5-2-6-10(8)12/h8,10,13H,2-7H2,1H3.
What are the key properties of N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine?
N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-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 N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine is sourced from PubChem (CID 85312202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).