3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium

C15H32N3O2+ — CID 59808988

IUPAC3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium
SMILESCCC(C)(CC(C)C(=O)NC(C)C)C(=O)NCCC[NH3+]
InChIInChI=1S/C15H31N3O2/c1-6-15(5,14(20)17-9-7-8-16)10-12(4)13(19)18-11(2)3/h11-12H,6-10,16H2,1-5H3,(H,17,20)(H,18,19)/p+1
InChIKeyHLHSLMWBJABKDS-UHFFFAOYSA-O
MW286.44 g/mol
LogP0.70
Rot. Bonds9

About 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium

3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium (PubChem CID 59808988) has the molecular formula C15H32N3O2+ and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium.

Molecular Properties

Compound Name3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium
PubChem CID59808988
Molecular FormulaC15H32N3O2+
Molecular Weight286.44 g/mol
Exact Mass286.25
IUPAC Name3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium
SMILESCCC(C)(CC(C)C(=O)NC(C)C)C(=O)NCCC[NH3+]
InChIInChI=1S/C15H31N3O2/c1-6-15(5,14(20)17-9-7-8-16)10-12(4)13(19)18-11(2)3/h11-12H,6-10,16H2,1-5H3,(H,17,20)(H,18,19)/p+1
InChIKeyHLHSLMWBJABKDS-UHFFFAOYSA-O
XLogP0.70
TPSA85.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan
CID 5289290
2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide
CID 2931883
N,N'-dicyclohexyl-2,2-dimethylpentanediamide
CID 1238042
2-ethyl-6-fluoro-4,4-dimethyl-5-oxo-N-propan-2-ylhexanamide
CID 132048565
2,2,4,4-Tetramethyl-5-(3,3,5,5-tetramethylhexanoylamino)pentanoyl fluoride
CID 144742521
2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2-dimethylpropyl]hexanamide
CID 2931594
3,5,5-trimethyl-N-(2-methylpropyl)hexanamide
CID 53962467
N-ethyl-3,5,5-trimethylhexanamide
CID 88875392
3,5,5-trimethyl-N-pentylhexanamide
CID 151425945
2-(2-methylpropyl)-N,N'-di(propan-2-yl)pentanediamide
CID 71852755
1-methyl-N-(5-methylhexan-2-yl)cyclopentane-1-carboxamide
CID 71902379
5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide
CID 172993804

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium?
The IUPAC name of 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium (CID 59808988) is 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium.
What is the SMILES notation for 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium?
The canonical SMILES for 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium is CCC(C)(CC(C)C(=O)NC(C)C)C(=O)NCCC[NH3+].
What is the InChIKey of 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium?
The InChIKey is HLHSLMWBJABKDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H31N3O2/c1-6-15(5,14(20)17-9-7-8-16)10-12(4)13(19)18-11(2)3/h11-12H,6-10,16H2,1-5H3,(H,17,20)(H,18,19)/p+1.
What are the key properties of 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium?
3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium has a molecular weight of 286.44 g/mol, XLogP of 0.70, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-2,4-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propylazanium is sourced from PubChem (CID 59808988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).