ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane

C13H30N2 — CID 143379344

IUPACethane;ethene;(3S)-3-ethenyl-1-methyldiazinane
SMILESC=C.C=C[C@@H]1CCCN(C)N1.CC.CC
InChIInChI=1S/C7H14N2.2C2H6.C2H4/c1-3-7-5-4-6-9(2)8-7;3*1-2/h3,7-8H,1,4-6H2,2H3;2*1-2H3;1-2H2/t7-;;;/m1.../s1
InChIKeyJEXLPGXUHSOUOG-LSBIWMFESA-N
MW214.40 g/mol
LogP3.63
Rot. Bonds1

About ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane

ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane (PubChem CID 143379344) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane.

Molecular Properties

Compound Nameethane;ethene;(3S)-3-ethenyl-1-methyldiazinane
PubChem CID143379344
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Nameethane;ethene;(3S)-3-ethenyl-1-methyldiazinane
SMILESC=C.C=C[C@@H]1CCCN(C)N1.CC.CC
InChIInChI=1S/C7H14N2.2C2H6.C2H4/c1-3-7-5-4-6-9(2)8-7;3*1-2/h3,7-8H,1,4-6H2,2H3;2*1-2H3;1-2H2/t7-;;;/m1.../s1
InChIKeyJEXLPGXUHSOUOG-LSBIWMFESA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane 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

Allylaminopiperidine
CID 20435879
Diazabicyclo[5.4.0]undec-5-ene
CID 22258625
2-(5-Hexen-1-yl)-1,1-dimethylhydrazine
CID 57552151
2-Hex-5-en-2-yl-1,1-dimethylhydrazine
CID 104655845
1,2,3,4,4a,7,8,9-Octahydropyridazino[1,6-a]azepine
CID 67851456
1,2,5,5a,6,7,8,9-Octahydropyrido[1,2-b]diazepine
CID 69724115
2,4,6-Tris(prop-2-enyl)triazinane
CID 70503687
1,6-Dimethyl-4-methylidenediazinane;ethane
CID 142959927
(3S)-3-ethenyldiazinane
CID 168983439
1,2-Bis(hex-5-enyl)-1-methylhydrazine
CID 169630621
(2S)-1-N-methyl-2-prop-2-enylpiperidine-1,4-diamine
CID 173973543
2-Hept-1-en-3-yl-1,1-dimethylhydrazine
CID 175533095

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane?
The IUPAC name of ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane (CID 143379344) is ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane.
What is the SMILES notation for ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane?
The canonical SMILES for ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane is C=C.C=C[C@@H]1CCCN(C)N1.CC.CC.
What is the InChIKey of ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane?
The InChIKey is JEXLPGXUHSOUOG-LSBIWMFESA-N. The full InChI is InChI=1S/C7H14N2.2C2H6.C2H4/c1-3-7-5-4-6-9(2)8-7;3*1-2/h3,7-8H,1,4-6H2,2H3;2*1-2H3;1-2H2/t7-;;;/m1.../s1.
What are the key properties of ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane?
ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane has a molecular weight of 214.40 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(3S)-3-ethenyl-1-methyldiazinane is sourced from PubChem (CID 143379344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).