2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide

C8H21NO2 — CID 159783472

IUPAC2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide
SMILESCC(C)(C)C[NH2+]CCCO.[OH-]
InChIInChI=1S/C8H19NO.H2O/c1-8(2,3)7-9-5-4-6-10;/h9-10H,4-7H2,1-3H3;1H2
InChIKeyNHQQQCXOYRULAN-UHFFFAOYSA-N
MW163.26 g/mol
LogP-0.20
Rot. Bonds4

About 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide

2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide (PubChem CID 159783472) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide.

Molecular Properties

Compound Name2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide
PubChem CID159783472
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC Name2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide
SMILESCC(C)(C)C[NH2+]CCCO.[OH-]
InChIInChI=1S/C8H19NO.H2O/c1-8(2,3)7-9-5-4-6-10;/h9-10H,4-7H2,1-3H3;1H2
InChIKeyNHQQQCXOYRULAN-UHFFFAOYSA-N
XLogP-0.20
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 5-0.20
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 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide?
The IUPAC name of 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide (CID 159783472) is 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide.
What is the SMILES notation for 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide?
The canonical SMILES for 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide is CC(C)(C)C[NH2+]CCCO.[OH-].
What is the InChIKey of 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide?
The InChIKey is NHQQQCXOYRULAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.H2O/c1-8(2,3)7-9-5-4-6-10;/h9-10H,4-7H2,1-3H3;1H2.
What are the key properties of 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide?
2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide has a molecular weight of 163.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl(3-hydroxypropyl)azanium hydroxide is sourced from PubChem (CID 159783472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).