2-(propylamino)octanamide

C11H24N2O — CID 60795649

IUPAC2-(propylamino)octanamide
SMILESCCCCCCC(NCCC)C(N)=O
InChIInChI=1S/C11H24N2O/c1-3-5-6-7-8-10(11(12)14)13-9-4-2/h10,13H,3-9H2,1-2H3,(H2,12,14)
InChIKeyWLICKKXTIYOYHF-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.81
Rot. Bonds9

About 2-(propylamino)octanamide

2-(propylamino)octanamide (PubChem CID 60795649) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-(propylamino)octanamide.

Molecular Properties

Compound Name2-(propylamino)octanamide
PubChem CID60795649
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-(propylamino)octanamide
SMILESCCCCCCC(NCCC)C(N)=O
InChIInChI=1S/C11H24N2O/c1-3-5-6-7-8-10(11(12)14)13-9-4-2/h10,13H,3-9H2,1-2H3,(H2,12,14)
InChIKeyWLICKKXTIYOYHF-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.81
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-(propylamino)nonanamide
CID 60796532
2-(tridecylamino)octanamide
CID 154123950
2-[2-(dimethylamino)ethylamino]nonanamide
CID 60995912
methyl 2-(propylamino)octanoate
CID 60795997
2-(propylamino)tetradecanoic acid
CID 54527307
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(pentylamino)octanoic acid
CID 129188286
2-[4-(tetradecylamino)butylamino]butanamide
CID 175024981
4-(dipropylamino)-2-(propylamino)butanamide
CID 63028004
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
methyl 7-amino-6-(methylamino)-7-oxo-2-(propylamino)heptanoate
CID 66222372
2-(butylamino)butanamide
CID 62901736

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)octanamide?
The IUPAC name of 2-(propylamino)octanamide (CID 60795649) is 2-(propylamino)octanamide.
What is the SMILES notation for 2-(propylamino)octanamide?
The canonical SMILES for 2-(propylamino)octanamide is CCCCCCC(NCCC)C(N)=O.
What is the InChIKey of 2-(propylamino)octanamide?
The InChIKey is WLICKKXTIYOYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-5-6-7-8-10(11(12)14)13-9-4-2/h10,13H,3-9H2,1-2H3,(H2,12,14).
What are the key properties of 2-(propylamino)octanamide?
2-(propylamino)octanamide has a molecular weight of 200.33 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)octanamide is sourced from PubChem (CID 60795649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).