3-amino-2-cyano-N'-methylbut-2-enimidamide

C6H10N4 — CID 163481180

IUPAC3-amino-2-cyano-N'-methylbut-2-enimidamide
SMILESC/N=C(\N)C(C#N)=C(C)N
InChIInChI=1S/C6H10N4/c1-4(8)5(3-7)6(9)10-2/h8H2,1-2H3,(H2,9,10)
InChIKeyJKFVNVBWPGZVFB-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.27
Rot. Bonds1

About 3-amino-2-cyano-N'-methylbut-2-enimidamide

3-amino-2-cyano-N'-methylbut-2-enimidamide (PubChem CID 163481180) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-amino-2-cyano-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name3-amino-2-cyano-N'-methylbut-2-enimidamide
PubChem CID163481180
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name3-amino-2-cyano-N'-methylbut-2-enimidamide
SMILESC/N=C(\N)C(C#N)=C(C)N
InChIInChI=1S/C6H10N4/c1-4(8)5(3-7)6(9)10-2/h8H2,1-2H3,(H2,9,10)
InChIKeyJKFVNVBWPGZVFB-UHFFFAOYSA-N
XLogP-0.27
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-N',2-dimethylbut-2-enimidamide
CID 90367835
2-cyano-N'-methanimidoyl-3-methylbut-2-enimidamide
CID 123879604
2-cyano-N',3-dimethylbut-2-enimidamide
CID 123952684
N'-[(E)-3-cyanobut-2-en-2-yl]propanimidamide
CID 145473984
3-amino-N',2-dimethylbut-2-enimidamide
CID 147517361
N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide
CID 159966588
3-amino-N',2-dimethyl-N-methylidenebut-2-enimidamide
CID 173551897
3-amino-N'-ethyl-2-methylbut-2-enimidamide
CID 173833067
N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide
CID 55281579
3,3-diamino-2-cyano-N'-methylprop-2-enimidamide
CID 144259659
2-(1-aminoethylidene)-3-N'-methylpropanediimidamide
CID 162382022

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyano-N'-methylbut-2-enimidamide?
The IUPAC name of 3-amino-2-cyano-N'-methylbut-2-enimidamide (CID 163481180) is 3-amino-2-cyano-N'-methylbut-2-enimidamide.
What is the SMILES notation for 3-amino-2-cyano-N'-methylbut-2-enimidamide?
The canonical SMILES for 3-amino-2-cyano-N'-methylbut-2-enimidamide is C/N=C(\N)C(C#N)=C(C)N.
What is the InChIKey of 3-amino-2-cyano-N'-methylbut-2-enimidamide?
The InChIKey is JKFVNVBWPGZVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4(8)5(3-7)6(9)10-2/h8H2,1-2H3,(H2,9,10).
What are the key properties of 3-amino-2-cyano-N'-methylbut-2-enimidamide?
3-amino-2-cyano-N'-methylbut-2-enimidamide has a molecular weight of 138.17 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyano-N'-methylbut-2-enimidamide is sourced from PubChem (CID 163481180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).