N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide

C4H11N5O2 — CID 126705131

IUPACN-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
SMILESCN(CCN(CN)N=O)N=O
InChIInChI=1S/C4H11N5O2/c1-8(6-10)2-3-9(4-5)7-11/h2-5H2,1H3
InChIKeyUKMMQYIDZQJSCP-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.50
Rot. Bonds6

About N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide

N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide (PubChem CID 126705131) has the molecular formula C4H11N5O2 and a molecular weight of 161.16 g/mol. Its IUPAC name is N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide.

Molecular Properties

Compound NameN-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
PubChem CID126705131
Molecular FormulaC4H11N5O2
Molecular Weight161.16 g/mol
Exact Mass161.09
IUPAC NameN-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
SMILESCN(CCN(CN)N=O)N=O
InChIInChI=1S/C4H11N5O2/c1-8(6-10)2-3-9(4-5)7-11/h2-5H2,1H3
InChIKeyUKMMQYIDZQJSCP-UHFFFAOYSA-N
XLogP-0.50
TPSA91.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide?
The IUPAC name of N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide (CID 126705131) is N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide.
What is the SMILES notation for N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide?
The canonical SMILES for N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide is CN(CCN(CN)N=O)N=O.
What is the InChIKey of N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide?
The InChIKey is UKMMQYIDZQJSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5O2/c1-8(6-10)2-3-9(4-5)7-11/h2-5H2,1H3.
What are the key properties of N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide?
N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide has a molecular weight of 161.16 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide is sourced from PubChem (CID 126705131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).