N-(aminomethyl)-N-methylbutanamide

C6H14N2O — CID 155070465

IUPACN-(aminomethyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CN
InChIInChI=1S/C6H14N2O/c1-3-4-6(9)8(2)5-7/h3-5,7H2,1-2H3
InChIKeyMCYJAAIFVDLFJN-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.16
Rot. Bonds3

About N-(aminomethyl)-N-methylbutanamide

N-(aminomethyl)-N-methylbutanamide (PubChem CID 155070465) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-(aminomethyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(aminomethyl)-N-methylbutanamide
PubChem CID155070465
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-(aminomethyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CN
InChIInChI=1S/C6H14N2O/c1-3-4-6(9)8(2)5-7/h3-5,7H2,1-2H3
InChIKeyMCYJAAIFVDLFJN-UHFFFAOYSA-N
XLogP0.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(aminomethyl)-N-methylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-fluoropropyl)-N-methylbutanamide
CID 169103064
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
N,N-dimethylbutanamide;hydrochloride
CID 87498306
2-[butanoyl(methyl)amino]ethyl acetate
CID 153197952
N-propylbutanehydrazide
CID 165487733
N-(2,2-difluoroethyl)-N-methylbutanamide
CID 115611582
CID 18739109
CID 18739109
N-methyl-N-(2-methylbutyl)butanamide
CID 21263621
N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
CID 176686856
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
N-methyl-N-sulfamoylbutanamide
CID 173192281
N-acetyl-N-methylbutanamide
CID 142271883

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-N-methylbutanamide?
The IUPAC name of N-(aminomethyl)-N-methylbutanamide (CID 155070465) is N-(aminomethyl)-N-methylbutanamide.
What is the SMILES notation for N-(aminomethyl)-N-methylbutanamide?
The canonical SMILES for N-(aminomethyl)-N-methylbutanamide is CCCC(=O)N(C)CN.
What is the InChIKey of N-(aminomethyl)-N-methylbutanamide?
The InChIKey is MCYJAAIFVDLFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-4-6(9)8(2)5-7/h3-5,7H2,1-2H3.
What are the key properties of N-(aminomethyl)-N-methylbutanamide?
N-(aminomethyl)-N-methylbutanamide has a molecular weight of 130.19 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-methylbutanamide is sourced from PubChem (CID 155070465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).