N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide

C7H14N4O2 — CID 173360254

IUPACN'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
SMILESCCN/C(=C\[N+](=O)[O-])N=CN(C)C
InChIInChI=1S/C7H14N4O2/c1-4-8-7(5-11(12)13)9-6-10(2)3/h5-6,8H,4H2,1-3H3/b7-5+,9-6?
InChIKeyHAXUPBPOVJOQFX-ZJRYPJFSSA-N
MW186.22 g/mol
LogP0.26
Rot. Bonds5

About N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide

N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide (PubChem CID 173360254) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
PubChem CID173360254
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC NameN'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
SMILESCCN/C(=C\[N+](=O)[O-])N=CN(C)C
InChIInChI=1S/C7H14N4O2/c1-4-8-7(5-11(12)13)9-6-10(2)3/h5-6,8H,4H2,1-3H3/b7-5+,9-6?
InChIKeyHAXUPBPOVJOQFX-ZJRYPJFSSA-N
XLogP0.26
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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'-[(Z)-1-(cyclopropylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 67863733
N'-[1-(cyclopropylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 67863734
N,N-dimethyl-N'-[1-(methylamino)-2-nitroethenyl]methanimidamide
CID 85669034
N'-[1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 85669038
N'-[(Z)-1-(cyclopropylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 88472611
1-cyano-2-methylguanidine;(E)-1-N'-methyl-2-nitroethene-1,1-diamine
CID 158580991
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 N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide (CID 173360254) is N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide is CCN/C(=C\[N+](=O)[O-])N=CN(C)C.
What is the InChIKey of N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide?
The InChIKey is HAXUPBPOVJOQFX-ZJRYPJFSSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-4-8-7(5-11(12)13)9-6-10(2)3/h5-6,8H,4H2,1-3H3/b7-5+,9-6?.
What are the key properties of N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide?
N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide has a molecular weight of 186.22 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 173360254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).