N-methyl-3-(methylamino)propanamide

C5H12N2O — CID 12548977

IUPACN-methyl-3-(methylamino)propanamide
SMILESCNCCC(=O)NC
InChIInChI=1S/C5H12N2O/c1-6-4-3-5(8)7-2/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyBZAGWSIKXFPLND-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.66
Rot. Bonds3

About N-methyl-3-(methylamino)propanamide

N-methyl-3-(methylamino)propanamide (PubChem CID 12548977) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-methyl-3-(methylamino)propanamide
PubChem CID12548977
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-methyl-3-(methylamino)propanamide
SMILESCNCCC(=O)NC
InChIInChI=1S/C5H12N2O/c1-6-4-3-5(8)7-2/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyBZAGWSIKXFPLND-UHFFFAOYSA-N
XLogP-0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylamino)propanamide?
The IUPAC name of N-methyl-3-(methylamino)propanamide (CID 12548977) is N-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-methyl-3-(methylamino)propanamide is CNCCC(=O)NC.
What is the InChIKey of N-methyl-3-(methylamino)propanamide?
The InChIKey is BZAGWSIKXFPLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-6-4-3-5(8)7-2/h6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of N-methyl-3-(methylamino)propanamide?
N-methyl-3-(methylamino)propanamide has a molecular weight of 116.16 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 12548977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).