bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium

C19H38N3+3 — CID 7047061

IUPACbis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium
SMILESC[NH+](C)CCC[NH+](CCCc1ccccc1)CCC[NH+](C)C
InChIInChI=1S/C19H35N3/c1-20(2)14-9-17-22(18-10-15-21(3)4)16-8-13-19-11-6-5-7-12-19/h5-7,11-12H,8-10,13-18H2,1-4H3/p+3
InChIKeySBVBKVVEKOURBW-UHFFFAOYSA-Q
MW308.53 g/mol
LogP-1.43
Rot. Bonds12

About bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium

bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium (PubChem CID 7047061) has the molecular formula C19H38N3+3 and a molecular weight of 308.53 g/mol. Its IUPAC name is bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium.

Molecular Properties

Compound Namebis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium
PubChem CID7047061
Molecular FormulaC19H38N3+3
Molecular Weight308.53 g/mol
Exact Mass308.30
IUPAC Namebis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium
SMILESC[NH+](C)CCC[NH+](CCCc1ccccc1)CCC[NH+](C)C
InChIInChI=1S/C19H35N3/c1-20(2)14-9-17-22(18-10-15-21(3)4)16-8-13-19-11-6-5-7-12-19/h5-7,11-12H,8-10,13-18H2,1-4H3/p+3
InChIKeySBVBKVVEKOURBW-UHFFFAOYSA-Q
XLogP-1.43
TPSA13.32 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Related Compounds

dimethyl(9-phenylnonyl)azanium dichloride
CID 87468123
dimethyl(14-phenyltetradecyl)azanium chloride
CID 70621589
dimethyl(15-phenylpentadecyl)azanium;chloride;dihydrate
CID 70271665
dimethyl(19-phenylnonadecyl)azanium;chloride;hydrate
CID 70269048
dimethyl(2-phenylethyl)azanium iodide
CID 172779619
4-phenylbutylbenzene
CID 141301927
diethyl(18-phenyloctadecyl)azanium chloride
CID 70621392
diethyl(16-phenylhexadecyl)azanium chloride
CID 70621692
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
dimethyl-[3-(4-propylphenyl)propyl]azanium chloride
CID 10610163
ethyl-methyl-(13-phenyltridecyl)azanium chloride
CID 158524301

Frequently Asked Questions

What is the IUPAC name of bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium?
The IUPAC name of bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium (CID 7047061) is bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium.
What is the SMILES notation for bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium?
The canonical SMILES for bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium is C[NH+](C)CCC[NH+](CCCc1ccccc1)CCC[NH+](C)C.
What is the InChIKey of bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium?
The InChIKey is SBVBKVVEKOURBW-UHFFFAOYSA-Q. The full InChI is InChI=1S/C19H35N3/c1-20(2)14-9-17-22(18-10-15-21(3)4)16-8-13-19-11-6-5-7-12-19/h5-7,11-12H,8-10,13-18H2,1-4H3/p+3.
What are the key properties of bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium?
bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium has a molecular weight of 308.53 g/mol, XLogP of -1.43, 12 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium is sourced from PubChem (CID 7047061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).