N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide

C6H13N5O2 — CID 173360206

IUPACN'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide
SMILESCCN/C(N=CN(C)C)=N\[N+](=O)[O-]
InChIInChI=1S/C6H13N5O2/c1-4-7-6(9-11(12)13)8-5-10(2)3/h5H,4H2,1-3H3,(H,7,9)
InChIKeyFZLOYNYBBCYGDS-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.27
Rot. Bonds3

About N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide

N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide (PubChem CID 173360206) has the molecular formula C6H13N5O2 and a molecular weight of 187.20 g/mol. Its IUPAC name is N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide
PubChem CID173360206
Molecular FormulaC6H13N5O2
Molecular Weight187.20 g/mol
Exact Mass187.11
IUPAC NameN'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide
SMILESCCN/C(N=CN(C)C)=N\[N+](=O)[O-]
InChIInChI=1S/C6H13N5O2/c1-4-7-6(9-11(12)13)8-5-10(2)3/h5H,4H2,1-3H3,(H,7,9)
InChIKeyFZLOYNYBBCYGDS-UHFFFAOYSA-N
XLogP-0.27
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-1-(ethylamino)-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 19754520
(1Z)-1-(dimethylaminomethylidene)-3-ethylthiourea
CID 58957980
1-ethyl-3-methyl-2-nitroguanidine;molecular iodine
CID 172972089
ethyl N,N-dimethyl-N'-nitrocarbamimidate
CID 87633154
(3Z)-1-ethyl-2-methyl-3-propylideneguanidine
CID 170583197
1-ethyl-2-nitro-1-nitrosoguanidine
CID 20238
ethyl N-(2-chloroethyl)-N'-nitrocarbamimidothioate
CID 142627425
(1Z)-1-(dimethylaminomethylidene)-3-(4-nitrophenyl)thiourea
CID 58914629
1-(hydroxyamino)-1-methyl-2-nitroguanidine
CID 135545577
N-propylidenenitramide
CID 173232396
methyl N-methyl-N-[[(N'-nitrocarbamimidoyl)amino]methyl]carbamate
CID 135498149
2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine
CID 57415329

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide (CID 173360206) is N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide is CCN/C(N=CN(C)C)=N\[N+](=O)[O-].
What is the InChIKey of N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide?
The InChIKey is FZLOYNYBBCYGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2/c1-4-7-6(9-11(12)13)8-5-10(2)3/h5H,4H2,1-3H3,(H,7,9).
What are the key properties of N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide?
N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide has a molecular weight of 187.20 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 173360206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).