[2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride

C9H24Cl2N2O — CID 139079185

IUPAC[2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride
SMILESCC(C)[NH2+]CC(O)C[NH2+]C(C)C.[Cl-].[Cl-]
InChIInChI=1S/C9H22N2O.2ClH/c1-7(2)10-5-9(12)6-11-8(3)4;;/h7-12H,5-6H2,1-4H3;2*1H
InChIKeyGIDASOWWYAIHMN-UHFFFAOYSA-N
MW247.21 g/mol
LogP-7.70
Rot. Bonds6

About [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride

[2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride (PubChem CID 139079185) has the molecular formula C9H24Cl2N2O and a molecular weight of 247.21 g/mol. Its IUPAC name is [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride.

Molecular Properties

Compound Name[2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride
PubChem CID139079185
Molecular FormulaC9H24Cl2N2O
Molecular Weight247.21 g/mol
Exact Mass246.13
IUPAC Name[2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride
SMILESCC(C)[NH2+]CC(O)C[NH2+]C(C)C.[Cl-].[Cl-]
InChIInChI=1S/C9H22N2O.2ClH/c1-7(2)10-5-9(12)6-11-8(3)4;;/h7-12H,5-6H2,1-4H3;2*1H
InChIKeyGIDASOWWYAIHMN-UHFFFAOYSA-N
XLogP-7.70
TPSA53.45 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-7.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride?
The IUPAC name of [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride (CID 139079185) is [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride.
What is the SMILES notation for [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride?
The canonical SMILES for [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride is CC(C)[NH2+]CC(O)C[NH2+]C(C)C.[Cl-].[Cl-].
What is the InChIKey of [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride?
The InChIKey is GIDASOWWYAIHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O.2ClH/c1-7(2)10-5-9(12)6-11-8(3)4;;/h7-12H,5-6H2,1-4H3;2*1H.
What are the key properties of [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride?
[2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride has a molecular weight of 247.21 g/mol, XLogP of -7.70, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(propan-2-ylazaniumyl)propyl]-propan-2-ylazanium dichloride is sourced from PubChem (CID 139079185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).