methanamine;2-methylbutanamide

C6H16N2O — CID 87550062

IUPACmethanamine;2-methylbutanamide
SMILESCCC(C)C(N)=O.CN
InChIInChI=1S/C5H11NO.CH5N/c1-3-4(2)5(6)7;1-2/h4H,3H2,1-2H3,(H2,6,7);2H2,1H3
InChIKeyDJHZQUYMMYWAFV-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.09
Rot. Bonds2

About methanamine;2-methylbutanamide

methanamine;2-methylbutanamide (PubChem CID 87550062) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is methanamine;2-methylbutanamide.

Molecular Properties

Compound Namemethanamine;2-methylbutanamide
PubChem CID87550062
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Namemethanamine;2-methylbutanamide
SMILESCCC(C)C(N)=O.CN
InChIInChI=1S/C5H11NO.CH5N/c1-3-4(2)5(6)7;1-2/h4H,3H2,1-2H3,(H2,6,7);2H2,1H3
InChIKeyDJHZQUYMMYWAFV-UHFFFAOYSA-N
XLogP0.09
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methanamine;2-methylbutanamide 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 methanamine;2-methylbutanamide?
The IUPAC name of methanamine;2-methylbutanamide (CID 87550062) is methanamine;2-methylbutanamide.
What is the SMILES notation for methanamine;2-methylbutanamide?
The canonical SMILES for methanamine;2-methylbutanamide is CCC(C)C(N)=O.CN.
What is the InChIKey of methanamine;2-methylbutanamide?
The InChIKey is DJHZQUYMMYWAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH5N/c1-3-4(2)5(6)7;1-2/h4H,3H2,1-2H3,(H2,6,7);2H2,1H3.
What are the key properties of methanamine;2-methylbutanamide?
methanamine;2-methylbutanamide has a molecular weight of 132.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methylbutanamide is sourced from PubChem (CID 87550062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).