dimethyl-[3-(4-propylphenyl)propyl]azanium chloride

C14H24ClN — CID 10610163

IUPACdimethyl-[3-(4-propylphenyl)propyl]azanium chloride
SMILESCCCc1ccc(CCC[NH+](C)C)cc1.[Cl-]
InChIInChI=1S/C14H23N.ClH/c1-4-6-13-8-10-14(11-9-13)7-5-12-15(2)3;/h8-11H,4-7,12H2,1-3H3;1H
InChIKeyGIGZZQAJLPLOGD-UHFFFAOYSA-N
MW241.81 g/mol
LogP-1.28
Rot. Bonds6

About dimethyl-[3-(4-propylphenyl)propyl]azanium chloride

dimethyl-[3-(4-propylphenyl)propyl]azanium chloride (PubChem CID 10610163) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is dimethyl-[3-(4-propylphenyl)propyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[3-(4-propylphenyl)propyl]azanium chloride
PubChem CID10610163
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC Namedimethyl-[3-(4-propylphenyl)propyl]azanium chloride
SMILESCCCc1ccc(CCC[NH+](C)C)cc1.[Cl-]
InChIInChI=1S/C14H23N.ClH/c1-4-6-13-8-10-14(11-9-13)7-5-12-15(2)3;/h8-11H,4-7,12H2,1-3H3;1H
InChIKeyGIGZZQAJLPLOGD-UHFFFAOYSA-N
XLogP-1.28
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.81
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(4-chlorophenyl)phenyl]propyl-dimethylazanium chloride
CID 10757305
dimethyl(9-phenylnonyl)azanium dichloride
CID 87468123
dimethyl(14-phenyltetradecyl)azanium chloride
CID 70621589
4-(4-propylphenyl)butan-1-ol
CID 10511962
dimethyl(15-phenylpentadecyl)azanium;chloride;dihydrate
CID 70271665
dimethyl(19-phenylnonadecyl)azanium;chloride;hydrate
CID 70269048
6-(4-propylphenyl)hexan-1-amine
CID 65300510
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium
CID 7047061
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
methyl-octadecyl-(4-undecylphenyl)azanium
CID 153446503
1-[difluoro-(4-pentylphenyl)methyl]-4-propylbenzene
CID 20705616

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(4-propylphenyl)propyl]azanium chloride?
The IUPAC name of dimethyl-[3-(4-propylphenyl)propyl]azanium chloride (CID 10610163) is dimethyl-[3-(4-propylphenyl)propyl]azanium chloride.
What is the SMILES notation for dimethyl-[3-(4-propylphenyl)propyl]azanium chloride?
The canonical SMILES for dimethyl-[3-(4-propylphenyl)propyl]azanium chloride is CCCc1ccc(CCC[NH+](C)C)cc1.[Cl-].
What is the InChIKey of dimethyl-[3-(4-propylphenyl)propyl]azanium chloride?
The InChIKey is GIGZZQAJLPLOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.ClH/c1-4-6-13-8-10-14(11-9-13)7-5-12-15(2)3;/h8-11H,4-7,12H2,1-3H3;1H.
What are the key properties of dimethyl-[3-(4-propylphenyl)propyl]azanium chloride?
dimethyl-[3-(4-propylphenyl)propyl]azanium chloride has a molecular weight of 241.81 g/mol, XLogP of -1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(4-propylphenyl)propyl]azanium chloride is sourced from PubChem (CID 10610163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).