ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide

C10H20N4 — CID 143245762

IUPACethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide
SMILESCC.[H]/N=C/C(C)=C(/N=C(/C)N)\N=C\C
InChIInChI=1S/C8H14N4.C2H6/c1-4-11-8(6(2)5-9)12-7(3)10;1-2/h4-5,9H,1-3H3,(H2,10,12);1-2H3/b8-6+,9-5+,11-4+;
InChIKeyTYAMHGHTRUPATN-JYHHMURUSA-N
MW196.30 g/mol
LogP2.36
Rot. Bonds3

About ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide

ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide (PubChem CID 143245762) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide.

Molecular Properties

Compound Nameethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide
PubChem CID143245762
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Nameethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide
SMILESCC.[H]/N=C/C(C)=C(/N=C(/C)N)\N=C\C
InChIInChI=1S/C8H14N4.C2H6/c1-4-11-8(6(2)5-9)12-7(3)10;1-2/h4-5,9H,1-3H3,(H2,10,12);1-2H3/b8-6+,9-5+,11-4+;
InChIKeyTYAMHGHTRUPATN-JYHHMURUSA-N
XLogP2.36
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide?
The IUPAC name of ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide (CID 143245762) is ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide.
What is the SMILES notation for ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide?
The canonical SMILES for ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide is CC.[H]/N=C/C(C)=C(/N=C(/C)N)\N=C\C.
What is the InChIKey of ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide?
The InChIKey is TYAMHGHTRUPATN-JYHHMURUSA-N. The full InChI is InChI=1S/C8H14N4.C2H6/c1-4-11-8(6(2)5-9)12-7(3)10;1-2/h4-5,9H,1-3H3,(H2,10,12);1-2H3/b8-6+,9-5+,11-4+;.
What are the key properties of ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide?
ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide has a molecular weight of 196.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide is sourced from PubChem (CID 143245762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).