1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine

C6H13N7O2 — CID 158580991

IUPAC1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine
SMILESC/N=C(\N)NC#N.CN/C(N)=C/[N+](=O)[O-]
InChIInChI=1S/C3H6N4.C3H7N3O2/c1-6-3(5)7-2-4;1-5-3(4)2-6(7)8/h1H3,(H3,5,6,7);2,5H,4H2,1H3/b;3-2+
InChIKeyHTGBVFMGNRJZRJ-ZPYUXNTASA-N
MW215.22 g/mol
LogP-1.76
Rot. Bonds2

About 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine

1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine (PubChem CID 158580991) has the molecular formula C6H13N7O2 and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine.

Molecular Properties

Compound Name1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine
PubChem CID158580991
Molecular FormulaC6H13N7O2
Molecular Weight215.22 g/mol
Exact Mass215.11
IUPAC Name1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine
SMILESC/N=C(\N)NC#N.CN/C(N)=C/[N+](=O)[O-]
InChIInChI=1S/C3H6N4.C3H7N3O2/c1-6-3(5)7-2-4;1-5-3(4)2-6(7)8/h1H3,(H3,5,6,7);2,5H,4H2,1H3/b;3-2+
InChIKeyHTGBVFMGNRJZRJ-ZPYUXNTASA-N
XLogP-1.76
TPSA155.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-[1-(Methylamino)-2-nitroethenyl]guanidine
CID 5154825
N'-[(Z)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 19754520
N,N-dimethyl-N'-[(Z)-1-(methylamino)-2-nitroethenyl]methanimidamide
CID 19754522
N'-ethyl-1-nitro-N-oxido-N-oxo-N-prop-1-enylmethanimidamide
CID 54388482
N,N-dimethyl-N'-[1-(methylamino)-2-nitroethenyl]methanimidamide
CID 85669034
N'-[1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 85669038
N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 173360254
N,N-dimethyl-N'-[(E)-1-(methylamino)-2-nitroethenyl]methanimidamide
CID 173360319
N-[1-(methylamino)-2-nitrovinyl]guanidine
CID 6286004
Diaminomethylidene-[1-(methylamino)-2-nitroethenyl]azanium
CID 7096896

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine?
The IUPAC name of 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine (CID 158580991) is 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine.
What is the SMILES notation for 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine?
The canonical SMILES for 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine is C/N=C(\N)NC#N.CN/C(N)=C/[N+](=O)[O-].
What is the InChIKey of 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine?
The InChIKey is HTGBVFMGNRJZRJ-ZPYUXNTASA-N. The full InChI is InChI=1S/C3H6N4.C3H7N3O2/c1-6-3(5)7-2-4;1-5-3(4)2-6(7)8/h1H3,(H3,5,6,7);2,5H,4H2,1H3/b;3-2+.
What are the key properties of 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine?
1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine has a molecular weight of 215.22 g/mol, XLogP of -1.76, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine is sourced from PubChem (CID 158580991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).