dimethyl(9-phenylnonyl)azanium dichloride

C17H30Cl2N- — CID 87468123

IUPACdimethyl(9-phenylnonyl)azanium dichloride
SMILESC[NH+](C)CCCCCCCCCc1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C17H29N.2ClH/c1-18(2)16-12-7-5-3-4-6-9-13-17-14-10-8-11-15-17;;/h8,10-11,14-15H,3-7,9,12-13,16H2,1-2H3;2*1H/p-1
InChIKeySKDBUXAEDMRILN-UHFFFAOYSA-M
MW319.34 g/mol
LogP-2.89
Rot. Bonds10

About dimethyl(9-phenylnonyl)azanium dichloride

dimethyl(9-phenylnonyl)azanium dichloride (PubChem CID 87468123) has the molecular formula C17H30Cl2N- and a molecular weight of 319.34 g/mol. Its IUPAC name is dimethyl(9-phenylnonyl)azanium dichloride.

Molecular Properties

Compound Namedimethyl(9-phenylnonyl)azanium dichloride
PubChem CID87468123
Molecular FormulaC17H30Cl2N-
Molecular Weight319.34 g/mol
Exact Mass318.18
IUPAC Namedimethyl(9-phenylnonyl)azanium dichloride
SMILESC[NH+](C)CCCCCCCCCc1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C17H29N.2ClH/c1-18(2)16-12-7-5-3-4-6-9-13-17-14-10-8-11-15-17;;/h8,10-11,14-15H,3-7,9,12-13,16H2,1-2H3;2*1H/p-1
InChIKeySKDBUXAEDMRILN-UHFFFAOYSA-M
XLogP-2.89
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-2.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl(14-phenyltetradecyl)azanium chloride
CID 70621589
dimethyl(15-phenylpentadecyl)azanium;chloride;dihydrate
CID 70271665
dimethyl(19-phenylnonadecyl)azanium;chloride;hydrate
CID 70269048
ethyl-methyl-(13-phenyltridecyl)azanium chloride
CID 158524301
bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium
CID 7047061
diethyl(18-phenyloctadecyl)azanium chloride
CID 70621392
diethyl(16-phenylhexadecyl)azanium chloride
CID 70621692
dimethyl(2-phenylethyl)azanium iodide
CID 172779619
4-phenylbutylbenzene
CID 141301927
heptylbenzene
CID 91456779
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of dimethyl(9-phenylnonyl)azanium dichloride?
The IUPAC name of dimethyl(9-phenylnonyl)azanium dichloride (CID 87468123) is dimethyl(9-phenylnonyl)azanium dichloride.
What is the SMILES notation for dimethyl(9-phenylnonyl)azanium dichloride?
The canonical SMILES for dimethyl(9-phenylnonyl)azanium dichloride is C[NH+](C)CCCCCCCCCc1ccccc1.[Cl-].[Cl-].
What is the InChIKey of dimethyl(9-phenylnonyl)azanium dichloride?
The InChIKey is SKDBUXAEDMRILN-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H29N.2ClH/c1-18(2)16-12-7-5-3-4-6-9-13-17-14-10-8-11-15-17;;/h8,10-11,14-15H,3-7,9,12-13,16H2,1-2H3;2*1H/p-1.
What are the key properties of dimethyl(9-phenylnonyl)azanium dichloride?
dimethyl(9-phenylnonyl)azanium dichloride has a molecular weight of 319.34 g/mol, XLogP of -2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(9-phenylnonyl)azanium dichloride is sourced from PubChem (CID 87468123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).