8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine

C11H18N2O — CID 141422074

IUPAC8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine
SMILESCC=CON=C1CC2CCC(C1)N2C
InChIInChI=1S/C11H18N2O/c1-3-6-14-12-9-7-10-4-5-11(8-9)13(10)2/h3,6,10-11H,4-5,7-8H2,1-2H3
InChIKeyPSDQSJSMZGKRQT-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.15
Rot. Bonds2

About 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine

8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 141422074) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound Name8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID141422074
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine
SMILESCC=CON=C1CC2CCC(C1)N2C
InChIInChI=1S/C11H18N2O/c1-3-6-14-12-9-7-10-4-5-11(8-9)13(10)2/h3,6,10-11H,4-5,7-8H2,1-2H3
InChIKeyPSDQSJSMZGKRQT-UHFFFAOYSA-N
XLogP2.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine with MolForge

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Related Compounds

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine;hydrochloride
CID 2737441
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride
CID 56737749
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate
CID 557688
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine
CID 65211894
[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino] 4-chlorobenzoate
CID 727068
[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino] 4-chlorobenzoate
CID 6928569
(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane
CID 89337063
8-methyl-8-azabicyclo[3.2.1]octane-3-thione
CID 18009150
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6338849
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate
CID 141422068
8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 3057566
[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea
CID 779400

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine (CID 141422074) is 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine is CC=CON=C1CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is PSDQSJSMZGKRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-6-14-12-9-7-10-4-5-11(8-9)13(10)2/h3,6,10-11H,4-5,7-8H2,1-2H3.
What are the key properties of 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine?
8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 194.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 141422074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).