2-methyl-2-nitrosopropane-1,1-diamine

C4H11N3O — CID 87287474

IUPAC2-methyl-2-nitrosopropane-1,1-diamine
SMILESCC(C)(N=O)C(N)N
InChIInChI=1S/C4H11N3O/c1-4(2,7-8)3(5)6/h3H,5-6H2,1-2H3
InChIKeyNNGLDBUSJGSTFR-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.23
Rot. Bonds2

About 2-methyl-2-nitrosopropane-1,1-diamine

2-methyl-2-nitrosopropane-1,1-diamine (PubChem CID 87287474) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-methyl-2-nitrosopropane-1,1-diamine.

Molecular Properties

Compound Name2-methyl-2-nitrosopropane-1,1-diamine
PubChem CID87287474
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name2-methyl-2-nitrosopropane-1,1-diamine
SMILESCC(C)(N=O)C(N)N
InChIInChI=1S/C4H11N3O/c1-4(2,7-8)3(5)6/h3H,5-6H2,1-2H3
InChIKeyNNGLDBUSJGSTFR-UHFFFAOYSA-N
XLogP-0.23
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-2-nitrosopropane-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nitrosopropane-1,1-diamine?
The IUPAC name of 2-methyl-2-nitrosopropane-1,1-diamine (CID 87287474) is 2-methyl-2-nitrosopropane-1,1-diamine.
What is the SMILES notation for 2-methyl-2-nitrosopropane-1,1-diamine?
The canonical SMILES for 2-methyl-2-nitrosopropane-1,1-diamine is CC(C)(N=O)C(N)N.
What is the InChIKey of 2-methyl-2-nitrosopropane-1,1-diamine?
The InChIKey is NNGLDBUSJGSTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-4(2,7-8)3(5)6/h3H,5-6H2,1-2H3.
What are the key properties of 2-methyl-2-nitrosopropane-1,1-diamine?
2-methyl-2-nitrosopropane-1,1-diamine has a molecular weight of 117.15 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nitrosopropane-1,1-diamine is sourced from PubChem (CID 87287474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).