2-[methyl(propyl)amino]butanamide

C8H18N2O — CID 62900463

IUPAC2-[methyl(propyl)amino]butanamide
SMILESCCCN(C)C(CC)C(N)=O
InChIInChI=1S/C8H18N2O/c1-4-6-10(3)7(5-2)8(9)11/h7H,4-6H2,1-3H3,(H2,9,11)
InChIKeyWDHVMUIGMJLLIM-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.59
Rot. Bonds5

About 2-[methyl(propyl)amino]butanamide

2-[methyl(propyl)amino]butanamide (PubChem CID 62900463) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]butanamide.

Molecular Properties

Compound Name2-[methyl(propyl)amino]butanamide
PubChem CID62900463
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-[methyl(propyl)amino]butanamide
SMILESCCCN(C)C(CC)C(N)=O
InChIInChI=1S/C8H18N2O/c1-4-6-10(3)7(5-2)8(9)11/h7H,4-6H2,1-3H3,(H2,9,11)
InChIKeyWDHVMUIGMJLLIM-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methoxyethyl(methyl)amino]butanamide
CID 62900283
2-[methyl(2-methylsulfonylethyl)amino]butanamide
CID 78924974
2-[2-hydroxypropyl(methyl)amino]butanamide
CID 62901231
2-[cyanomethyl(methyl)amino]butanamide
CID 62900421
2-[methyl(2-piperazin-1-ylethyl)amino]butanamide
CID 63266206
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
CID 62900263
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
2-[methyl(2-piperidin-2-ylethyl)amino]butanamide
CID 66272994
2-[2-[(1-amino-1-oxobutan-2-yl)-methylamino]ethyl]benzoic acid
CID 113425715
ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate
CID 62899515
2-[2-aminoethyl(methyl)amino]butanoic acid
CID 63654075
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]butanamide?
The IUPAC name of 2-[methyl(propyl)amino]butanamide (CID 62900463) is 2-[methyl(propyl)amino]butanamide.
What is the SMILES notation for 2-[methyl(propyl)amino]butanamide?
The canonical SMILES for 2-[methyl(propyl)amino]butanamide is CCCN(C)C(CC)C(N)=O.
What is the InChIKey of 2-[methyl(propyl)amino]butanamide?
The InChIKey is WDHVMUIGMJLLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-6-10(3)7(5-2)8(9)11/h7H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 2-[methyl(propyl)amino]butanamide?
2-[methyl(propyl)amino]butanamide has a molecular weight of 158.25 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]butanamide is sourced from PubChem (CID 62900463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).