ethane;N-ethenyl-N'-ethylmethanimidamide

C9H22N2 — CID 143333894

IUPACethane;N-ethenyl-N'-ethylmethanimidamide
SMILESC=CN/C=N/CC.CC.CC
InChIInChI=1S/C5H10N2.2C2H6/c1-3-6-5-7-4-2;2*1-2/h3,5H,1,4H2,2H3,(H,6,7);2*1-2H3
InChIKeyGRBSLOHLJOQIIW-UHFFFAOYSA-N
MW158.29 g/mol
LogP2.82
Rot. Bonds3

About ethane;N-ethenyl-N'-ethylmethanimidamide

ethane;N-ethenyl-N'-ethylmethanimidamide (PubChem CID 143333894) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;N-ethenyl-N'-ethylmethanimidamide.

Molecular Properties

Compound Nameethane;N-ethenyl-N'-ethylmethanimidamide
PubChem CID143333894
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;N-ethenyl-N'-ethylmethanimidamide
SMILESC=CN/C=N/CC.CC.CC
InChIInChI=1S/C5H10N2.2C2H6/c1-3-6-5-7-4-2;2*1-2/h3,5H,1,4H2,2H3,(H,6,7);2*1-2H3
InChIKeyGRBSLOHLJOQIIW-UHFFFAOYSA-N
XLogP2.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-N'-(2-hydroxyethyl)methanimidamide
CID 90250549
N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide
CID 166705924
N-ethenyl-N'-[2-(2-methylpropylimino)ethyl]methanimidamide
CID 137433089
buta-1,3-diene;ethane;N-ethylpropan-1-imine
CID 143326323
N-ethyl-3,3-dimethylpent-4-en-1-imine
CID 13119720
ethane;[2-(ethenylamino)hydrazinyl]ethane
CID 143379665
ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine
CID 144831826
ethane;N-ethylethanimine;N-methylethenamine;4-methylpiperidine
CID 169104175
3-(ethyliminomethyl)but-3-enoic acid
CID 154029010
N-ethylmethanimidoyl fluoride
CID 145275129
ethane;N-methylethenamine
CID 143349321
N-[(1Z)-buta-1,3-dienyl]-N'-[3-[ethyl(propyl)amino]-2-hydroxypropyl]methanimidamide
CID 90248347

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-N'-ethylmethanimidamide?
The IUPAC name of ethane;N-ethenyl-N'-ethylmethanimidamide (CID 143333894) is ethane;N-ethenyl-N'-ethylmethanimidamide.
What is the SMILES notation for ethane;N-ethenyl-N'-ethylmethanimidamide?
The canonical SMILES for ethane;N-ethenyl-N'-ethylmethanimidamide is C=CN/C=N/CC.CC.CC.
What is the InChIKey of ethane;N-ethenyl-N'-ethylmethanimidamide?
The InChIKey is GRBSLOHLJOQIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.2C2H6/c1-3-6-5-7-4-2;2*1-2/h3,5H,1,4H2,2H3,(H,6,7);2*1-2H3.
What are the key properties of ethane;N-ethenyl-N'-ethylmethanimidamide?
ethane;N-ethenyl-N'-ethylmethanimidamide has a molecular weight of 158.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N'-ethylmethanimidamide is sourced from PubChem (CID 143333894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).