1-ethyl-3-methyl-2-nitroguanidine;molecular iodine

C4H10I2N4O2 — CID 172972089

IUPAC1-ethyl-3-methyl-2-nitroguanidine;molecular iodine
SMILESCCN/C(=N/[N+](=O)[O-])NC.II
InChIInChI=1S/C4H10N4O2.I2/c1-3-6-4(5-2)7-8(9)10;1-2/h3H2,1-2H3,(H2,5,6,7);
InChIKeyORMNPCYEYRVQIF-UHFFFAOYSA-N
MW399.96 g/mol
LogP1.13
Rot. Bonds2

About 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine

1-ethyl-3-methyl-2-nitroguanidine;molecular iodine (PubChem CID 172972089) has the molecular formula C4H10I2N4O2 and a molecular weight of 399.96 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-nitroguanidine;molecular iodine
PubChem CID172972089
Molecular FormulaC4H10I2N4O2
Molecular Weight399.96 g/mol
Exact Mass399.89
IUPAC Name1-ethyl-3-methyl-2-nitroguanidine;molecular iodine
SMILESCCN/C(=N/[N+](=O)[O-])NC.II
InChIInChI=1S/C4H10N4O2.I2/c1-3-6-4(5-2)7-8(9)10;1-2/h3H2,1-2H3,(H2,5,6,7);
InChIKeyORMNPCYEYRVQIF-UHFFFAOYSA-N
XLogP1.13
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.96
LogP ≤ 51.13
H-Bond Donors ≤ 52
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-methyl-2-nitroguanidine
CID 175201696
1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine
CID 135537100
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-ethyl-2-nitroguanidine
CID 173316069
N'-[(E)-N-ethyl-N'-nitrocarbamimidoyl]-N,N-dimethylmethanimidamide
CID 173360206
methyl N-methyl-N'-nitrocarbamimidate
CID 135581711
1,3-diethyl-2-methylguanidine
CID 58687650
1-(6-chloro-3-pyridinyl)-3-methyl-2-nitroguanidine
CID 177457782
methanamine;1-methyl-2-nitroguanidine;2-nitroguanidine;hydrate
CID 172944229
1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine
CID 176541502
(1Z)-N-nitroethanimidate
CID 22649980
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine
CID 172983341
ethyl N-(2-chloroethyl)-N'-nitrocarbamimidothioate
CID 142627425

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine?
The IUPAC name of 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine (CID 172972089) is 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine.
What is the SMILES notation for 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine?
The canonical SMILES for 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine is CCN/C(=N/[N+](=O)[O-])NC.II.
What is the InChIKey of 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine?
The InChIKey is ORMNPCYEYRVQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2.I2/c1-3-6-4(5-2)7-8(9)10;1-2/h3H2,1-2H3,(H2,5,6,7);.
What are the key properties of 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine?
1-ethyl-3-methyl-2-nitroguanidine;molecular iodine has a molecular weight of 399.96 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-nitroguanidine;molecular iodine is sourced from PubChem (CID 172972089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).