dipropylazanium dichloride

C6H16Cl2N- — CID 23338822

IUPACdipropylazanium dichloride
SMILESCCC[NH2+]CCC.[Cl-].[Cl-]
InChIInChI=1S/C6H15N.2ClH/c1-3-5-7-6-4-2;;/h7H,3-6H2,1-2H3;2*1H/p-1
InChIKeyGAXHGHSKCOIZSD-UHFFFAOYSA-M
MW173.11 g/mol
LogP-5.62
Rot. Bonds4

About dipropylazanium dichloride

dipropylazanium dichloride (PubChem CID 23338822) has the molecular formula C6H16Cl2N- and a molecular weight of 173.11 g/mol. Its IUPAC name is dipropylazanium dichloride.

Molecular Properties

Compound Namedipropylazanium dichloride
PubChem CID23338822
Molecular FormulaC6H16Cl2N-
Molecular Weight173.11 g/mol
Exact Mass172.07
IUPAC Namedipropylazanium dichloride
SMILESCCC[NH2+]CCC.[Cl-].[Cl-]
InChIInChI=1S/C6H15N.2ClH/c1-3-5-7-6-4-2;;/h7H,3-6H2,1-2H3;2*1H/p-1
InChIKeyGAXHGHSKCOIZSD-UHFFFAOYSA-M
XLogP-5.62
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 5-5.62
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

propyl-bis[2-(propylazaniumyl)ethyl]azanium
CID 7244692
azanium;dioctadecylazanium;dichloride
CID 172767895
butyl(tetradecyl)azanium chloride
CID 20788665
butyl(dodecyl)azanium
CID 91941247
didodecylazanium fluoride
CID 87135434
dibutylazanium hexafluorophosphate
CID 23620950
azanide;carbanide;bis(chloroplatinum(1+));3-(ethylazaniumyl)propylazanide;3-(propylazaniumyl)propylazanide
CID 159930479
ethyl(propyl)azanium;methyl sulfate
CID 139650778
dioctadecylazanium tetrafluoroborate
CID 140565722
CID 139206332
CID 139206332
bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane
CID 159758461
bis[4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]butyl]azanium pentachloride
CID 10792442

Frequently Asked Questions

What is the IUPAC name of dipropylazanium dichloride?
The IUPAC name of dipropylazanium dichloride (CID 23338822) is dipropylazanium dichloride.
What is the SMILES notation for dipropylazanium dichloride?
The canonical SMILES for dipropylazanium dichloride is CCC[NH2+]CCC.[Cl-].[Cl-].
What is the InChIKey of dipropylazanium dichloride?
The InChIKey is GAXHGHSKCOIZSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15N.2ClH/c1-3-5-7-6-4-2;;/h7H,3-6H2,1-2H3;2*1H/p-1.
What are the key properties of dipropylazanium dichloride?
dipropylazanium dichloride has a molecular weight of 173.11 g/mol, XLogP of -5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylazanium dichloride is sourced from PubChem (CID 23338822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).