N-methyl-4-(methylamino)butanamide;molecular hydrogen

C6H18N2O — CID 176574478

IUPACN-methyl-4-(methylamino)butanamide;molecular hydrogen
SMILESCNCCCC(=O)NC.[H][H].[H][H]
InChIInChI=1S/C6H14N2O.2H2/c1-7-5-3-4-6(9)8-2;;/h7H,3-5H2,1-2H3,(H,8,9);2*1H
InChIKeyMMIIEJIXPHLEPU-UHFFFAOYSA-N
MW134.22 g/mol
LogP0.22
Rot. Bonds4

About N-methyl-4-(methylamino)butanamide;molecular hydrogen

N-methyl-4-(methylamino)butanamide;molecular hydrogen (PubChem CID 176574478) has the molecular formula C6H18N2O and a molecular weight of 134.22 g/mol. Its IUPAC name is N-methyl-4-(methylamino)butanamide;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-4-(methylamino)butanamide;molecular hydrogen
PubChem CID176574478
Molecular FormulaC6H18N2O
Molecular Weight134.22 g/mol
Exact Mass134.14
IUPAC NameN-methyl-4-(methylamino)butanamide;molecular hydrogen
SMILESCNCCCC(=O)NC.[H][H].[H][H]
InChIInChI=1S/C6H14N2O.2H2/c1-7-5-3-4-6(9)8-2;;/h7H,3-5H2,1-2H3,(H,8,9);2*1H
InChIKeyMMIIEJIXPHLEPU-UHFFFAOYSA-N
XLogP0.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-11-(methylamino)undecanamide
CID 59809097
N-methyl-4-(sulfanylamino)butanamide
CID 59695052
N,N'-dimethylheptanediamide
CID 15166696
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
CID 155596032
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
CID 171563781
CID 171563781
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
CID 59445332
CID 59445332
disodium;hydride;4-(methylamino)butanoic acid;sulfane
CID 175037506

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)butanamide;molecular hydrogen?
The IUPAC name of N-methyl-4-(methylamino)butanamide;molecular hydrogen (CID 176574478) is N-methyl-4-(methylamino)butanamide;molecular hydrogen.
What is the SMILES notation for N-methyl-4-(methylamino)butanamide;molecular hydrogen?
The canonical SMILES for N-methyl-4-(methylamino)butanamide;molecular hydrogen is CNCCCC(=O)NC.[H][H].[H][H].
What is the InChIKey of N-methyl-4-(methylamino)butanamide;molecular hydrogen?
The InChIKey is MMIIEJIXPHLEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.2H2/c1-7-5-3-4-6(9)8-2;;/h7H,3-5H2,1-2H3,(H,8,9);2*1H.
What are the key properties of N-methyl-4-(methylamino)butanamide;molecular hydrogen?
N-methyl-4-(methylamino)butanamide;molecular hydrogen has a molecular weight of 134.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)butanamide;molecular hydrogen is sourced from PubChem (CID 176574478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).