propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide

C9H26N2O2 — CID 139831817

IUPACpropan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide
SMILESCC(C)[NH2+]CCC[NH2+]C(C)C.[OH-].[OH-]
InChIInChI=1S/C9H22N2.2H2O/c1-8(2)10-6-5-7-11-9(3)4;;/h8-11H,5-7H2,1-4H3;2*1H2
InChIKeyKHOCAHSKVJSEIP-UHFFFAOYSA-N
MW194.32 g/mol
LogP-1.03
Rot. Bonds6

About propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide

propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide (PubChem CID 139831817) has the molecular formula C9H26N2O2 and a molecular weight of 194.32 g/mol. Its IUPAC name is propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide.

Molecular Properties

Compound Namepropan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide
PubChem CID139831817
Molecular FormulaC9H26N2O2
Molecular Weight194.32 g/mol
Exact Mass194.20
IUPAC Namepropan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide
SMILESCC(C)[NH2+]CCC[NH2+]C(C)C.[OH-].[OH-]
InChIInChI=1S/C9H22N2.2H2O/c1-8(2)10-6-5-7-11-9(3)4;;/h8-11H,5-7H2,1-4H3;2*1H2
InChIKeyKHOCAHSKVJSEIP-UHFFFAOYSA-N
XLogP-1.03
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide?
The IUPAC name of propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide (CID 139831817) is propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide.
What is the SMILES notation for propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide?
The canonical SMILES for propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide is CC(C)[NH2+]CCC[NH2+]C(C)C.[OH-].[OH-].
What is the InChIKey of propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide?
The InChIKey is KHOCAHSKVJSEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.2H2O/c1-8(2)10-6-5-7-11-9(3)4;;/h8-11H,5-7H2,1-4H3;2*1H2.
What are the key properties of propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide?
propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide has a molecular weight of 194.32 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-[3-(propan-2-ylazaniumyl)propyl]azanium dihydroxide is sourced from PubChem (CID 139831817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).