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

C10H18N2O — CID 123301433

IUPACN-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
SMILESCON=C1CCNC2CCCCC12
InChIInChI=1S/C10H18N2O/c1-13-12-10-6-7-11-9-5-3-2-4-8(9)10/h8-9,11H,2-7H2,1H3
InChIKeyKZQUAEVWJRERDN-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.54
Rot. Bonds1

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

N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine (PubChem CID 123301433) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine.

Molecular Properties

Compound NameN-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
PubChem CID123301433
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
SMILESCON=C1CCNC2CCCCC12
InChIInChI=1S/C10H18N2O/c1-13-12-10-6-7-11-9-5-3-2-4-8(9)10/h8-9,11H,2-7H2,1H3
InChIKeyKZQUAEVWJRERDN-UHFFFAOYSA-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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Launch Full Analysis

Related Compounds

2-(Hydroxyimino)-5-methyl-5-azabicyclo[4.4.0]decane
CID 16761721
(NE)-N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine
CID 20440952
N-(1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene)hydroxylamine
CID 85312202
N-[(4aR,8aS)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine
CID 88719999
3-ethoxyimino-N-methyl-2-[2-(methylamino)butyl]cyclohexan-1-amine
CID 88732702
N-methyl-2-[3-(methylamino)butyl]-3-propoxyiminocyclohexan-1-amine
CID 88732949
(E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
CID 118116287
(NE)-N-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl)ethylidene]hydroxylamine
CID 141887995
(NZ)-N-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)ethylidene]hydroxylamine
CID 141909007
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-N-methylethanimine
CID 141909138
N-[(4aS,8aR)-1-methyl-2,3,4,4a,6,7,8,8a-octahydroquinolin-5-ylidene]hydroxylamine
CID 145802853
(NZ)-N-[(4aS,8aR)-1-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene]hydroxylamine
CID 8027123

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
The IUPAC name of N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine (CID 123301433) is N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine.
What is the SMILES notation for N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
The canonical SMILES for N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine is CON=C1CCNC2CCCCC12.
What is the InChIKey of N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
The InChIKey is KZQUAEVWJRERDN-UHFFFAOYSA-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.
What are the key properties of N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine?
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 N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine is sourced from PubChem (CID 123301433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).