2-(propylamino)nonanamide

C12H26N2O — CID 60796532

IUPAC2-(propylamino)nonanamide
SMILESCCCCCCCC(NCCC)C(N)=O
InChIInChI=1S/C12H26N2O/c1-3-5-6-7-8-9-11(12(13)15)14-10-4-2/h11,14H,3-10H2,1-2H3,(H2,13,15)
InChIKeyBLJWNCPGIMVGBG-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.20
Rot. Bonds10

About 2-(propylamino)nonanamide

2-(propylamino)nonanamide (PubChem CID 60796532) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(propylamino)nonanamide.

Molecular Properties

Compound Name2-(propylamino)nonanamide
PubChem CID60796532
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(propylamino)nonanamide
SMILESCCCCCCCC(NCCC)C(N)=O
InChIInChI=1S/C12H26N2O/c1-3-5-6-7-8-9-11(12(13)15)14-10-4-2/h11,14H,3-10H2,1-2H3,(H2,13,15)
InChIKeyBLJWNCPGIMVGBG-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.20
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)octanamide
CID 60795649
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)nonanamide?
The IUPAC name of 2-(propylamino)nonanamide (CID 60796532) is 2-(propylamino)nonanamide.
What is the SMILES notation for 2-(propylamino)nonanamide?
The canonical SMILES for 2-(propylamino)nonanamide is CCCCCCCC(NCCC)C(N)=O.
What is the InChIKey of 2-(propylamino)nonanamide?
The InChIKey is BLJWNCPGIMVGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-5-6-7-8-9-11(12(13)15)14-10-4-2/h11,14H,3-10H2,1-2H3,(H2,13,15).
What are the key properties of 2-(propylamino)nonanamide?
2-(propylamino)nonanamide has a molecular weight of 214.35 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)nonanamide is sourced from PubChem (CID 60796532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).