N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide

C4H10N4O4 — CID 20123

IUPACN-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide
SMILESCN(CCN(C)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C4H10N4O4/c1-5(7(9)10)3-4-6(2)8(11)12/h3-4H2,1-2H3
InChIKeyHCAOFVZKSOXNQN-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.77
Rot. Bonds5

About N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide

N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide (PubChem CID 20123) has the molecular formula C4H10N4O4 and a molecular weight of 178.15 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide
PubChem CID20123
Molecular FormulaC4H10N4O4
Molecular Weight178.15 g/mol
Exact Mass178.07
IUPAC NameN-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide
SMILESCN(CCN(C)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C4H10N4O4/c1-5(7(9)10)3-4-6(2)8(11)12/h3-4H2,1-2H3
InChIKeyHCAOFVZKSOXNQN-UHFFFAOYSA-N
XLogP-0.77
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(2-hydroxyethyl)-N-methylnitramide;nitric acid
CID 23619411
N-methyl-N-(3-oxobutyl)nitramide
CID 119096366
methoxy-[2-[methyl(nitro)amino]ethylimino]-oxidoazanium
CID 177256206
N-(2-cyanoethyl)-N-(trideuteriomethyl)nitramide
CID 167995511
2-(dimethylamino)ethyl nitrate;N-methyl-N-[[methyl(nitro)amino]methyl]nitramide;molecular iodine
CID 160596010
N-chloro-N-methylmethanamine;nitric acid
CID 88721738
copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate
CID 5351947
nickel;nitric acid
CID 157159085
N,N-dimethyl-4,4-dinitrobut-3-en-1-amine
CID 175525236
ethyl N-methyl-N-nitrocarbamate
CID 14381973
N-methyl-N-[methyl(nitro)sulfamoyl]nitramide
CID 2843415
N-acetyl-N-[acetyl(nitro)amino]nitramide
CID 14897440

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide?
The IUPAC name of N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide (CID 20123) is N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide.
What is the SMILES notation for N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide?
The canonical SMILES for N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide is CN(CCN(C)[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide?
The InChIKey is HCAOFVZKSOXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O4/c1-5(7(9)10)3-4-6(2)8(11)12/h3-4H2,1-2H3.
What are the key properties of N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide?
N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide has a molecular weight of 178.15 g/mol, XLogP of -0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl(nitro)amino]ethyl]nitramide is sourced from PubChem (CID 20123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).