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

C10H18N2O — CID 88719999

IUPACN-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine
SMILESCN1CCC[C@H]2C(=NO)CCC[C@@H]21
InChIInChI=1S/C10H18N2O/c1-12-7-3-4-8-9(11-13)5-2-6-10(8)12/h8,10,13H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeyMBNFLSNSHWCBIP-WPRPVWTQSA-N
MW182.27 g/mol
LogP1.71
Rot. Bonds

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

N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine (PubChem CID 88719999) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine
PubChem CID88719999
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine
SMILESCN1CCC[C@H]2C(=NO)CCC[C@@H]21
InChIInChI=1S/C10H18N2O/c1-12-7-3-4-8-9(11-13)5-2-6-10(8)12/h8,10,13H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeyMBNFLSNSHWCBIP-WPRPVWTQSA-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'}

Analyze N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine?
The IUPAC name of N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine (CID 88719999) is N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine.
What is the SMILES notation for N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine?
The canonical SMILES for N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine is CN1CCC[C@H]2C(=NO)CCC[C@@H]21.
What is the InChIKey of N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine?
The InChIKey is MBNFLSNSHWCBIP-WPRPVWTQSA-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/t8-,10-/m0/s1.
What are the key properties of N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine?
N-[(4aR,8aS)-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-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine is sourced from PubChem (CID 88719999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).