dimethyl-nonyl-(1-phenylpropan-2-yl)azanium

C20H36N+ — CID 67563494

IUPACdimethyl-nonyl-(1-phenylpropan-2-yl)azanium
SMILESCCCCCCCCC[N+](C)(C)C(C)Cc1ccccc1
InChIInChI=1S/C20H36N/c1-5-6-7-8-9-10-14-17-21(3,4)19(2)18-20-15-12-11-13-16-20/h11-13,15-16,19H,5-10,14,17-18H2,1-4H3/q+1
InChIKeyHDLYRUUHQOKZKI-UHFFFAOYSA-N
MW290.51 g/mol
LogP5.44
Rot. Bonds11

About dimethyl-nonyl-(1-phenylpropan-2-yl)azanium

dimethyl-nonyl-(1-phenylpropan-2-yl)azanium (PubChem CID 67563494) has the molecular formula C20H36N+ and a molecular weight of 290.51 g/mol. Its IUPAC name is dimethyl-nonyl-(1-phenylpropan-2-yl)azanium.

Molecular Properties

Compound Namedimethyl-nonyl-(1-phenylpropan-2-yl)azanium
PubChem CID67563494
Molecular FormulaC20H36N+
Molecular Weight290.51 g/mol
Exact Mass290.28
IUPAC Namedimethyl-nonyl-(1-phenylpropan-2-yl)azanium
SMILESCCCCCCCCC[N+](C)(C)C(C)Cc1ccccc1
InChIInChI=1S/C20H36N/c1-5-6-7-8-9-10-14-17-21(3,4)19(2)18-20-15-12-11-13-16-20/h11-13,15-16,19H,5-10,14,17-18H2,1-4H3/q+1
InChIKeyHDLYRUUHQOKZKI-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.51
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hexadecyl-dimethyl-(1-phenylpropan-2-yl)azanium
CID 139643433
dodecyl-dimethyl-(1-phenylethyl)azanium
CID 14494910
benzene;hexadecyl-dimethyl-(1-phenylethyl)azanium;chloride
CID 174769082
dimethyl-octadecyl-(1-phenylundecyl)azanium
CID 159563872
benzyl-methyl-octyl-propan-2-ylazanium chloride
CID 162516687
hexadecyl-dimethyl-(1-phenyltridecyl)azanium chloride
CID 139891430
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
hexadecyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium
CID 102112051
benzyl-heptyl-dimethylazanium chloride
CID 23274918
tris(benzyl-dodecyl-dimethylazanium);tribromide
CID 155665719

Frequently Asked Questions

What is the IUPAC name of dimethyl-nonyl-(1-phenylpropan-2-yl)azanium?
The IUPAC name of dimethyl-nonyl-(1-phenylpropan-2-yl)azanium (CID 67563494) is dimethyl-nonyl-(1-phenylpropan-2-yl)azanium.
What is the SMILES notation for dimethyl-nonyl-(1-phenylpropan-2-yl)azanium?
The canonical SMILES for dimethyl-nonyl-(1-phenylpropan-2-yl)azanium is CCCCCCCCC[N+](C)(C)C(C)Cc1ccccc1.
What is the InChIKey of dimethyl-nonyl-(1-phenylpropan-2-yl)azanium?
The InChIKey is HDLYRUUHQOKZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N/c1-5-6-7-8-9-10-14-17-21(3,4)19(2)18-20-15-12-11-13-16-20/h11-13,15-16,19H,5-10,14,17-18H2,1-4H3/q+1.
What are the key properties of dimethyl-nonyl-(1-phenylpropan-2-yl)azanium?
dimethyl-nonyl-(1-phenylpropan-2-yl)azanium has a molecular weight of 290.51 g/mol, XLogP of 5.44, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-nonyl-(1-phenylpropan-2-yl)azanium is sourced from PubChem (CID 67563494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).