2,2-dimethylpropanethial;methanamine

C6H15NS — CID 162731432

IUPAC2,2-dimethylpropanethial;methanamine
SMILESCC(C)(C)C=S.CN
InChIInChI=1S/C5H10S.CH5N/c1-5(2,3)4-6;1-2/h4H,1-3H3;2H2,1H3
InChIKeyABVOMNGISNGPBE-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.61
Rot. Bonds

About 2,2-dimethylpropanethial;methanamine

2,2-dimethylpropanethial;methanamine (PubChem CID 162731432) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 2,2-dimethylpropanethial;methanamine.

Molecular Properties

Compound Name2,2-dimethylpropanethial;methanamine
PubChem CID162731432
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name2,2-dimethylpropanethial;methanamine
SMILESCC(C)(C)C=S.CN
InChIInChI=1S/C5H10S.CH5N/c1-5(2,3)4-6;1-2/h4H,1-3H3;2H2,1H3
InChIKeyABVOMNGISNGPBE-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropanethial;methanamine 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 2,2-dimethylpropanethial;methanamine?
The IUPAC name of 2,2-dimethylpropanethial;methanamine (CID 162731432) is 2,2-dimethylpropanethial;methanamine.
What is the SMILES notation for 2,2-dimethylpropanethial;methanamine?
The canonical SMILES for 2,2-dimethylpropanethial;methanamine is CC(C)(C)C=S.CN.
What is the InChIKey of 2,2-dimethylpropanethial;methanamine?
The InChIKey is ABVOMNGISNGPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S.CH5N/c1-5(2,3)4-6;1-2/h4H,1-3H3;2H2,1H3.
What are the key properties of 2,2-dimethylpropanethial;methanamine?
2,2-dimethylpropanethial;methanamine has a molecular weight of 133.26 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanethial;methanamine is sourced from PubChem (CID 162731432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).