2-methyl-2-nitrosopropan-1-amine

C4H10N2O — CID 89371112

IUPAC2-methyl-2-nitrosopropan-1-amine
SMILESCC(C)(CN)N=O
InChIInChI=1S/C4H10N2O/c1-4(2,3-5)6-7/h3,5H2,1-2H3
InChIKeyQJESCIZMLSEVQO-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.49
Rot. Bonds2

About 2-methyl-2-nitrosopropan-1-amine

2-methyl-2-nitrosopropan-1-amine (PubChem CID 89371112) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 2-methyl-2-nitrosopropan-1-amine.

Molecular Properties

Compound Name2-methyl-2-nitrosopropan-1-amine
PubChem CID89371112
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name2-methyl-2-nitrosopropan-1-amine
SMILESCC(C)(CN)N=O
InChIInChI=1S/C4H10N2O/c1-4(2,3-5)6-7/h3,5H2,1-2H3
InChIKeyQJESCIZMLSEVQO-UHFFFAOYSA-N
XLogP0.49
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-nitrosopropan-1-amine 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-nitrosopropan-1-amine?
The IUPAC name of 2-methyl-2-nitrosopropan-1-amine (CID 89371112) is 2-methyl-2-nitrosopropan-1-amine.
What is the SMILES notation for 2-methyl-2-nitrosopropan-1-amine?
The canonical SMILES for 2-methyl-2-nitrosopropan-1-amine is CC(C)(CN)N=O.
What is the InChIKey of 2-methyl-2-nitrosopropan-1-amine?
The InChIKey is QJESCIZMLSEVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-4(2,3-5)6-7/h3,5H2,1-2H3.
What are the key properties of 2-methyl-2-nitrosopropan-1-amine?
2-methyl-2-nitrosopropan-1-amine has a molecular weight of 102.14 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nitrosopropan-1-amine is sourced from PubChem (CID 89371112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).