2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide

C5H10N4O — CID 90245690

IUPAC2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide
SMILESCNC(=O)C/N=C/N=C/N
InChIInChI=1S/C5H10N4O/c1-7-5(10)2-8-4-9-3-6/h3-4H,2H2,1H3,(H,7,10)(H2,6,8,9)
InChIKeyJSMRXDZIXJKKLA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.25
Rot. Bonds3

About 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide

2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide (PubChem CID 90245690) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide
PubChem CID90245690
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide
SMILESCNC(=O)C/N=C/N=C/N
InChIInChI=1S/C5H10N4O/c1-7-5(10)2-8-4-9-3-6/h3-4H,2H2,1H3,(H,7,10)(H2,6,8,9)
InChIKeyJSMRXDZIXJKKLA-UHFFFAOYSA-N
XLogP-1.25
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.25
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'}

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Related Compounds

2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide
CID 131206782
N-[2-(diaminomethylideneamino)ethyl]acetamide
CID 12715885
2-(diaminomethylideneamino)-N,N-dimethylacetamide
CID 15452518
2-(aminomethylideneamino)-N-methylacetamide
CID 21800845
2-(diaminomethylideneamino)-N-methylacetamide
CID 57804361
N-ethyl-2-(methylideneamino)acetamide
CID 58883061
N-(ethyliminomethyl)acetamide
CID 59310309
2-(diaminomethylideneamino)-N-propan-2-ylacetamide
CID 60047902
2-(diaminomethylideneamino)-N-ethylacetamide
CID 60723754
N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide
CID 62358984
CID 67720107
CID 67720107
2-amino-N-(methyliminomethyl)acetamide
CID 88990539

Frequently Asked Questions

What is the IUPAC name of 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide?
The IUPAC name of 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide (CID 90245690) is 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide.
What is the SMILES notation for 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide?
The canonical SMILES for 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide is CNC(=O)C/N=C/N=C/N.
What is the InChIKey of 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide?
The InChIKey is JSMRXDZIXJKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-7-5(10)2-8-4-9-3-6/h3-4H,2H2,1H3,(H,7,10)(H2,6,8,9).
What are the key properties of 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide?
2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide has a molecular weight of 142.16 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide is sourced from PubChem (CID 90245690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).