2-methyl-2-nitrosopropanimidamide

C4H9N3O — CID 55282032

IUPAC2-methyl-2-nitrosopropanimidamide
SMILES[H]/N=C(\N)C(C)(C)N=O
InChIInChI=1S/C4H9N3O/c1-4(2,7-8)3(5)6/h1-2H3,(H3,5,6)
InChIKeyPSVQQWAKHZYBMR-UHFFFAOYSA-N
MW115.14 g/mol
LogP0.47
Rot. Bonds2

About 2-methyl-2-nitrosopropanimidamide

2-methyl-2-nitrosopropanimidamide (PubChem CID 55282032) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 2-methyl-2-nitrosopropanimidamide.

Molecular Properties

Compound Name2-methyl-2-nitrosopropanimidamide
PubChem CID55282032
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name2-methyl-2-nitrosopropanimidamide
SMILES[H]/N=C(\N)C(C)(C)N=O
InChIInChI=1S/C4H9N3O/c1-4(2,7-8)3(5)6/h1-2H3,(H3,5,6)
InChIKeyPSVQQWAKHZYBMR-UHFFFAOYSA-N
XLogP0.47
TPSA79.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2,2-dimethylpropanimidamide;hydrochloride
CID 2781880
2,2-dimethylpropanediimidamide;dihydrochloride
CID 140977550
2,2-diaminopropanimidamide
CID 87520938
2-[1-amino-2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-1-iminopropan-2-yl]propanedioic acid
CID 87450042
2,2-dibromopropanimidamide;dihydrochloride
CID 71777001
2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
CID 6394921
2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen
CID 162280524
3-amino-2,2-dimethylbut-3-enimidamide
CID 163752584
2-hydroxy-2-methylbutanimidamide
CID 23422942
3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride
CID 87172294
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694
2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide
CID 102530764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nitrosopropanimidamide?
The IUPAC name of 2-methyl-2-nitrosopropanimidamide (CID 55282032) is 2-methyl-2-nitrosopropanimidamide.
What is the SMILES notation for 2-methyl-2-nitrosopropanimidamide?
The canonical SMILES for 2-methyl-2-nitrosopropanimidamide is [H]/N=C(\N)C(C)(C)N=O.
What is the InChIKey of 2-methyl-2-nitrosopropanimidamide?
The InChIKey is PSVQQWAKHZYBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-4(2,7-8)3(5)6/h1-2H3,(H3,5,6).
What are the key properties of 2-methyl-2-nitrosopropanimidamide?
2-methyl-2-nitrosopropanimidamide has a molecular weight of 115.14 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nitrosopropanimidamide is sourced from PubChem (CID 55282032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).