2-methyl-N-[4-(methylamino)butyl]propanamide

C9H20N2O — CID 134337431

IUPAC2-methyl-N-[4-(methylamino)butyl]propanamide
SMILESCNCCCCNC(=O)C(C)C
InChIInChI=1S/C9H20N2O/c1-8(2)9(12)11-7-5-4-6-10-3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyATKPUOJFFFYTSE-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.76
Rot. Bonds6

About 2-methyl-N-[4-(methylamino)butyl]propanamide

2-methyl-N-[4-(methylamino)butyl]propanamide (PubChem CID 134337431) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-N-[4-(methylamino)butyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(methylamino)butyl]propanamide
PubChem CID134337431
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-N-[4-(methylamino)butyl]propanamide
SMILESCNCCCCNC(=O)C(C)C
InChIInChI=1S/C9H20N2O/c1-8(2)9(12)11-7-5-4-6-10-3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyATKPUOJFFFYTSE-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.76
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

2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
CID 156795155
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
CID 119687959
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
CID 166111944
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide
CID 158950751
[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride
CID 10494630

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(methylamino)butyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(methylamino)butyl]propanamide (CID 134337431) is 2-methyl-N-[4-(methylamino)butyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(methylamino)butyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(methylamino)butyl]propanamide is CNCCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[4-(methylamino)butyl]propanamide?
The InChIKey is ATKPUOJFFFYTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)9(12)11-7-5-4-6-10-3/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-N-[4-(methylamino)butyl]propanamide?
2-methyl-N-[4-(methylamino)butyl]propanamide has a molecular weight of 172.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(methylamino)butyl]propanamide is sourced from PubChem (CID 134337431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).