ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine

C10H21N3O — CID 144954121

IUPACethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine
SMILESCC.CO/N=C1/CN(C)CC12CNC2
InChIInChI=1S/C8H15N3O.C2H6/c1-11-3-7(10-12-2)8(6-11)4-9-5-8;1-2/h9H,3-6H2,1-2H3;1-2H3/b10-7-;
InChIKeyFDIMDNFRXSYWPX-VEZAGKLZSA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds1

About ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine

ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine (PubChem CID 144954121) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine.

Molecular Properties

Compound Nameethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine
PubChem CID144954121
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Nameethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine
SMILESCC.CO/N=C1/CN(C)CC12CNC2
InChIInChI=1S/C8H15N3O.C2H6/c1-11-3-7(10-12-2)8(6-11)4-9-5-8;1-2/h9H,3-6H2,1-2H3;1-2H3/b10-7-;
InChIKeyFDIMDNFRXSYWPX-VEZAGKLZSA-N
XLogP0.55
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine with MolForge

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

Launch Full Analysis

Related Compounds

methanesulfonic acid;2,2,2-trifluoro-1-(5-methoxyimino-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 118524699
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
[3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol
CID 123988142
5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine
CID 138614511
(NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine
CID 118346492
(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride
CID 53305610
3-tert-butyl-5-methoxyimino-2,7-diazaspiro[3.4]octane-2-carboxylic acid
CID 173242472
2-methyl-2,9-diazaspiro[4.5]decan-6-one
CID 82413175
4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine
CID 142628210
ethane;1,2,2,6,6-pentamethylpiperazine
CID 168918008
5-amino-1-cyclopropyl-6,8-difluoro-7-[(8E)-8-methoxyimino-2-methyl-2,6-diazaspiro[3.4]octan-6-yl]-4-oxoquinoline-3-carboxylic acid
CID 10321380
3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 176992944

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine?
The IUPAC name of ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine (CID 144954121) is ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine.
What is the SMILES notation for ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine?
The canonical SMILES for ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine is CC.CO/N=C1/CN(C)CC12CNC2.
What is the InChIKey of ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine?
The InChIKey is FDIMDNFRXSYWPX-VEZAGKLZSA-N. The full InChI is InChI=1S/C8H15N3O.C2H6/c1-11-3-7(10-12-2)8(6-11)4-9-5-8;1-2/h9H,3-6H2,1-2H3;1-2H3/b10-7-;.
What are the key properties of ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine?
ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine has a molecular weight of 199.30 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-methoxy-6-methyl-2,6-diazaspiro[3.4]octan-8-imine is sourced from PubChem (CID 144954121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).