N-[3-(methylamino)propyl]butanamide

C8H18N2O — CID 43600791

IUPACN-[3-(methylamino)propyl]butanamide
SMILESCCCC(=O)NCCCNC
InChIInChI=1S/C8H18N2O/c1-3-5-8(11)10-7-4-6-9-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyYMEFDVWLZUGFDU-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.51
Rot. Bonds6

About N-[3-(methylamino)propyl]butanamide

N-[3-(methylamino)propyl]butanamide (PubChem CID 43600791) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]butanamide
PubChem CID43600791
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[3-(methylamino)propyl]butanamide
SMILESCCCC(=O)NCCCNC
InChIInChI=1S/C8H18N2O/c1-3-5-8(11)10-7-4-6-9-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyYMEFDVWLZUGFDU-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.51
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-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-(4-acetamidobutyl)butanamide
CID 110417477
N-(3-iodopropyl)butanamide
CID 114504418
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
2-(butanoylamino)ethylphosphonic acid
CID 88586980
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-[3-(methylamino)propyl]octadecanamide;methyl hydrogen sulfate
CID 174942610
16-(butanoylamino)hexadecanoic acid
CID 118711043
N-(6-iodohexyl)butanamide
CID 107848130

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]butanamide?
The IUPAC name of N-[3-(methylamino)propyl]butanamide (CID 43600791) is N-[3-(methylamino)propyl]butanamide.
What is the SMILES notation for N-[3-(methylamino)propyl]butanamide?
The canonical SMILES for N-[3-(methylamino)propyl]butanamide is CCCC(=O)NCCCNC.
What is the InChIKey of N-[3-(methylamino)propyl]butanamide?
The InChIKey is YMEFDVWLZUGFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-5-8(11)10-7-4-6-9-2/h9H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-[3-(methylamino)propyl]butanamide?
N-[3-(methylamino)propyl]butanamide has a molecular weight of 158.25 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]butanamide is sourced from PubChem (CID 43600791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).