methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium

C17H28F9N2O+ — CID 143834519

IUPACmethyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium
SMILESCCCCCCCC[NH+](C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H27F9N2O/c1-3-4-5-6-7-8-11-28(2)12-9-10-27-13(29)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-12H2,1-2H3,(H,27,29)/p+1
InChIKeyGUOUUUZEIYIXJV-UHFFFAOYSA-O
MW447.41 g/mol
LogP3.84
Rot. Bonds14

About methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium

methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium (PubChem CID 143834519) has the molecular formula C17H28F9N2O+ and a molecular weight of 447.41 g/mol. Its IUPAC name is methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium.

Molecular Properties

Compound Namemethyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium
PubChem CID143834519
Molecular FormulaC17H28F9N2O+
Molecular Weight447.41 g/mol
Exact Mass447.21
IUPAC Namemethyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium
SMILESCCCCCCCC[NH+](C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H27F9N2O/c1-3-4-5-6-7-8-11-28(2)12-9-10-27-13(29)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-12H2,1-2H3,(H,27,29)/p+1
InChIKeyGUOUUUZEIYIXJV-UHFFFAOYSA-O
XLogP3.84
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 4072472
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
CID 4165117
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-diheptylheptanediamide
CID 5227382
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[7-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)heptyl]nonanamide
CID 3089716
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-[6-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoylamino)hexyl]hexanamide
CID 177421303
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
CID 3746335
11-chloro-N-decyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
CID 4106217
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-hexylnonanamide
CID 3090456
9-chloro-N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3616620
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-undecylnonanamide
CID 3948802
2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
CID 3089717

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium?
The IUPAC name of methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium (CID 143834519) is methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium.
What is the SMILES notation for methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium?
The canonical SMILES for methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium is CCCCCCCC[NH+](C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium?
The InChIKey is GUOUUUZEIYIXJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27F9N2O/c1-3-4-5-6-7-8-11-28(2)12-9-10-27-13(29)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-12H2,1-2H3,(H,27,29)/p+1.
What are the key properties of methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium?
methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium has a molecular weight of 447.41 g/mol, XLogP of 3.84, 14 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)propyl]-octylazanium is sourced from PubChem (CID 143834519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).