(E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine

C10H18N2O — CID 118116287

IUPAC(E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
SMILESCO/N=C1\CCNC2CCCCC12
InChIInChI=1S/C10H18N2O/c1-13-12-10-6-7-11-9-5-3-2-4-8(9)10/h8-9,11H,2-7H2,1H3/b12-10+
InChIKeyKZQUAEVWJRERDN-ZRDIBKRKSA-N
MW182.27 g/mol
LogP1.54
Rot. Bonds1

About (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine

(E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine (PubChem CID 118116287) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine.

Molecular Properties

Compound Name(E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
PubChem CID118116287
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
SMILESCO/N=C1\CCNC2CCCCC12
InChIInChI=1S/C10H18N2O/c1-13-12-10-6-7-11-9-5-3-2-4-8(9)10/h8-9,11H,2-7H2,1H3/b12-10+
InChIKeyKZQUAEVWJRERDN-ZRDIBKRKSA-N
XLogP1.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.54
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 (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
The IUPAC name of (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine (CID 118116287) is (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine.
What is the SMILES notation for (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
The canonical SMILES for (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine is CO/N=C1\CCNC2CCCCC12.
What is the InChIKey of (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
The InChIKey is KZQUAEVWJRERDN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H18N2O/c1-13-12-10-6-7-11-9-5-3-2-4-8(9)10/h8-9,11H,2-7H2,1H3/b12-10+.
What are the key properties of (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
(E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine has a molecular weight of 182.27 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine is sourced from PubChem (CID 118116287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).