ethane;N'-methyl-N-prop-2-enylidenemethanimidamide

C9H20N2 — CID 143794244

IUPACethane;N'-methyl-N-prop-2-enylidenemethanimidamide
SMILESC=C/C=N/C=N/C.CC.CC
InChIInChI=1S/C5H8N2.2C2H6/c1-3-4-7-5-6-2;2*1-2/h3-5H,1H2,2H3;2*1-2H3/b6-5+,7-4+;;
InChIKeyWEILBEUTUFRYHX-GGBQCTITSA-N
MW156.27 g/mol
LogP2.95
Rot. Bonds2

About ethane;N'-methyl-N-prop-2-enylidenemethanimidamide

ethane;N'-methyl-N-prop-2-enylidenemethanimidamide (PubChem CID 143794244) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;N'-methyl-N-prop-2-enylidenemethanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-prop-2-enylidenemethanimidamide
PubChem CID143794244
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;N'-methyl-N-prop-2-enylidenemethanimidamide
SMILESC=C/C=N/C=N/C.CC.CC
InChIInChI=1S/C5H8N2.2C2H6/c1-3-4-7-5-6-2;2*1-2/h3-5H,1H2,2H3;2*1-2H3/b6-5+,7-4+;;
InChIKeyWEILBEUTUFRYHX-GGBQCTITSA-N
XLogP2.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
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

ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086
buta-1,3-diene;ethane;N-methylethanimine
CID 143431642
methyliminomethyliminomethyl N-ethenylmethanimidothioate
CID 156560259
(prop-2-enylideneamino)methylidenetungsten
CID 58828847
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
N-methyl-N'-prop-2-enylidenepropane-1,3-diimine
CID 142446042
N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine
CID 170195757
ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine
CID 143697946
N-(prop-2-enylideneamino)prop-2-en-1-imine
CID 88828746
ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
CID 142114329
cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
CID 144794255
buta-1,3-diene;ethane;N-ethenylethanimine
CID 142052316

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-prop-2-enylidenemethanimidamide?
The IUPAC name of ethane;N'-methyl-N-prop-2-enylidenemethanimidamide (CID 143794244) is ethane;N'-methyl-N-prop-2-enylidenemethanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-prop-2-enylidenemethanimidamide?
The canonical SMILES for ethane;N'-methyl-N-prop-2-enylidenemethanimidamide is C=C/C=N/C=N/C.CC.CC.
What is the InChIKey of ethane;N'-methyl-N-prop-2-enylidenemethanimidamide?
The InChIKey is WEILBEUTUFRYHX-GGBQCTITSA-N. The full InChI is InChI=1S/C5H8N2.2C2H6/c1-3-4-7-5-6-2;2*1-2/h3-5H,1H2,2H3;2*1-2H3/b6-5+,7-4+;;.
What are the key properties of ethane;N'-methyl-N-prop-2-enylidenemethanimidamide?
ethane;N'-methyl-N-prop-2-enylidenemethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-prop-2-enylidenemethanimidamide is sourced from PubChem (CID 143794244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).