ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide

C9H20N2 — CID 143939645

IUPACethane;N-ethenyl-N-ethyl-N'-methylethanimidamide
SMILESC=CN(CC)/C(C)=N/C.CC
InChIInChI=1S/C7H14N2.C2H6/c1-5-9(6-2)7(3)8-4;1-2/h5H,1,6H2,2-4H3;1-2H3/b8-7+;
InChIKeyLYVQLAYZVZCKIC-USRGLUTNSA-N
MW156.27 g/mol
LogP2.53
Rot. Bonds2

About ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide

ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide (PubChem CID 143939645) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide.

Molecular Properties

Compound Nameethane;N-ethenyl-N-ethyl-N'-methylethanimidamide
PubChem CID143939645
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;N-ethenyl-N-ethyl-N'-methylethanimidamide
SMILESC=CN(CC)/C(C)=N/C.CC
InChIInChI=1S/C7H14N2.C2H6/c1-5-9(6-2)7(3)8-4;1-2/h5H,1,6H2,2-4H3;1-2H3/b8-7+;
InChIKeyLYVQLAYZVZCKIC-USRGLUTNSA-N
XLogP2.53
TPSA15.60 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 ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide?
The IUPAC name of ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide (CID 143939645) is ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide.
What is the SMILES notation for ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide?
The canonical SMILES for ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide is C=CN(CC)/C(C)=N/C.CC.
What is the InChIKey of ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide?
The InChIKey is LYVQLAYZVZCKIC-USRGLUTNSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-5-9(6-2)7(3)8-4;1-2/h5H,1,6H2,2-4H3;1-2H3/b8-7+;.
What are the key properties of ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide?
ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N-ethyl-N'-methylethanimidamide is sourced from PubChem (CID 143939645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).