N,N-bis(aminomethyl)nitramide

C2H8N4O2 — CID 175461093

IUPACN,N-bis(aminomethyl)nitramide
SMILESNCN(CN)[N+](=O)[O-]
InChIInChI=1S/C2H8N4O2/c3-1-5(2-4)6(7)8/h1-4H2
InChIKeyKNVSKWNHWDFKMU-UHFFFAOYSA-N
MW120.11 g/mol
LogP-1.69
Rot. Bonds3

About N,N-bis(aminomethyl)nitramide

N,N-bis(aminomethyl)nitramide (PubChem CID 175461093) has the molecular formula C2H8N4O2 and a molecular weight of 120.11 g/mol. Its IUPAC name is N,N-bis(aminomethyl)nitramide.

Molecular Properties

Compound NameN,N-bis(aminomethyl)nitramide
PubChem CID175461093
Molecular FormulaC2H8N4O2
Molecular Weight120.11 g/mol
Exact Mass120.06
IUPAC NameN,N-bis(aminomethyl)nitramide
SMILESNCN(CN)[N+](=O)[O-]
InChIInChI=1S/C2H8N4O2/c3-1-5(2-4)6(7)8/h1-4H2
InChIKeyKNVSKWNHWDFKMU-UHFFFAOYSA-N
XLogP-1.69
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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,N-bis(prop-2-enyl)nitramide
CID 87928806
ethane-1,2-diamine dinitrate
CID 3015097
[acetyloxymethyl(nitro)amino]methyl acetate
CID 13352139
silver;tris(ethane-1,2-diamine);nitrate
CID 173442409
ethane-1,2-diamine;platinum(2+);dinitrate
CID 11406311
N-(2-chloroethyl)-N-[[[[2-chloroethyl(nitro)amino]methyl-nitroamino]methyl-nitroamino]methyl]nitramide
CID 13244994
2-[nitro-[2-[nitro(2-nitrooxyethyl)amino]ethyl]amino]ethyl nitrate
CID 87945340
1-(2-aminoethyl)-1-nitrourea
CID 141425314
N,N-bis(2-hydroxyethyl)nitramide;azide;dinitrate
CID 158150352
aniline;N,N-bis(2-hydroxyethyl)nitramide
CID 22734908
amino nitrate;guanidine
CID 87093007
2-aminoethanol;bis(nitric acid)
CID 22257240

Frequently Asked Questions

What is the IUPAC name of N,N-bis(aminomethyl)nitramide?
The IUPAC name of N,N-bis(aminomethyl)nitramide (CID 175461093) is N,N-bis(aminomethyl)nitramide.
What is the SMILES notation for N,N-bis(aminomethyl)nitramide?
The canonical SMILES for N,N-bis(aminomethyl)nitramide is NCN(CN)[N+](=O)[O-].
What is the InChIKey of N,N-bis(aminomethyl)nitramide?
The InChIKey is KNVSKWNHWDFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N4O2/c3-1-5(2-4)6(7)8/h1-4H2.
What are the key properties of N,N-bis(aminomethyl)nitramide?
N,N-bis(aminomethyl)nitramide has a molecular weight of 120.11 g/mol, XLogP of -1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(aminomethyl)nitramide is sourced from PubChem (CID 175461093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).