ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

C9H18N2 — CID 143637084

IUPACethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=N/C(C)=N/C=C(C)C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)5-9-7(3)8-4;1-2/h5H,4H2,1-3H3;1-2H3/b9-7+;
InChIKeyIMOWAGAOMVCDKD-BXTVWIJMSA-N
MW154.26 g/mol
LogP3.06
Rot. Bonds1

About ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (PubChem CID 143637084) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.

Molecular Properties

Compound Nameethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
PubChem CID143637084
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=N/C(C)=N/C=C(C)C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)5-9-7(3)8-4;1-2/h5H,4H2,1-3H3;1-2H3/b9-7+;
InChIKeyIMOWAGAOMVCDKD-BXTVWIJMSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.06
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

N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide
CID 88936329
(E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide
CID 126596197
2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide
CID 126603063
N-ethylidene-N'-(2-methylprop-2-enyl)ethanimidamide
CID 126633433
N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide
CID 130434344
3-methyl-N-methylidene-N'-(2-methylprop-1-enyl)butanimidamide
CID 131976933
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide
CID 134243981
2-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylidenepropanimidamide
CID 135213129
N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
CID 138459867
N-methylidene-N'-(2-methylprop-1-enyl)cyclopropanecarboximidamide
CID 138468396
ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 142259400
N-ethylidene-N'-[(E)-2-methylbut-1-enyl]methanimidamide
CID 142993068

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The IUPAC name of ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (CID 143637084) is ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.
What is the SMILES notation for ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The canonical SMILES for ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is C=N/C(C)=N/C=C(C)C.CC.
What is the InChIKey of ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The InChIKey is IMOWAGAOMVCDKD-BXTVWIJMSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-6(2)5-9-7(3)8-4;1-2/h5H,4H2,1-3H3;1-2H3/b9-7+;.
What are the key properties of ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is sourced from PubChem (CID 143637084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).