bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride

C8H24Cl3N3 — CID 86656190

IUPACbis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride
SMILESC[N+](C)(CCCN)CCCN.Cl.Cl.[Cl-]
InChIInChI=1S/C8H22N3.3ClH/c1-11(2,7-3-5-9)8-4-6-10;;;/h3-10H2,1-2H3;3*1H/q+1;;;/p-1
InChIKeyKVBMOVXSRGMYBW-UHFFFAOYSA-M
MW268.66 g/mol
LogP-2.39
Rot. Bonds6

About bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride

bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride (PubChem CID 86656190) has the molecular formula C8H24Cl3N3 and a molecular weight of 268.66 g/mol. Its IUPAC name is bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride.

Molecular Properties

Compound Namebis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride
PubChem CID86656190
Molecular FormulaC8H24Cl3N3
Molecular Weight268.66 g/mol
Exact Mass267.10
IUPAC Namebis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride
SMILESC[N+](C)(CCCN)CCCN.Cl.Cl.[Cl-]
InChIInChI=1S/C8H22N3.3ClH/c1-11(2,7-3-5-9)8-4-6-10;;;/h3-10H2,1-2H3;3*1H/q+1;;;/p-1
InChIKeyKVBMOVXSRGMYBW-UHFFFAOYSA-M
XLogP-2.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-aminopropyl-heptadecyl-dimethylazanium
CID 142713048
3-aminopropyl(trimethyl)azanium;hydrochloride
CID 173485800
bis(3-aminopropyl)-[4-[bis(3-aminopropyl)-methylazaniumyl]butyl]-methylazanium
CID 140942989
5-aminopentyl-dimethyl-(2-sulfanylethyl)azanium bromide
CID 126665061
3-aminopropyl-(3-hydroxypropyl)-dimethylazanium;docosanoic acid;chloride
CID 159241538
3-aminopropyl-dimethyl-(2-methylprop-2-enoyloxymethyl)azanium chloride
CID 161460095
3-aminopropyl-dimethyl-(2-oxobut-3-enyl)azanium
CID 135333013
3-aminopropyl-methyl-dinitrosoazanium
CID 163483671
butyl-(2-fluoroethyl)-dimethylazanium chloride
CID 160627620
azane;butyl-decyl-dimethylazanium;chloride;hydrochloride
CID 173206612
4-aminobutyl-(carboxymethyl)-dimethylazanium
CID 151662160
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415

Frequently Asked Questions

What is the IUPAC name of bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride?
The IUPAC name of bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride (CID 86656190) is bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride.
What is the SMILES notation for bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride?
The canonical SMILES for bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride is C[N+](C)(CCCN)CCCN.Cl.Cl.[Cl-].
What is the InChIKey of bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride?
The InChIKey is KVBMOVXSRGMYBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H22N3.3ClH/c1-11(2,7-3-5-9)8-4-6-10;;;/h3-10H2,1-2H3;3*1H/q+1;;;/p-1.
What are the key properties of bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride?
bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride has a molecular weight of 268.66 g/mol, XLogP of -2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride is sourced from PubChem (CID 86656190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).