2-hydroxyethyl-di(propan-2-yl)azanium chloride

C8H20ClNO — CID 139056653

IUPAC2-hydroxyethyl-di(propan-2-yl)azanium chloride
SMILESCC(C)[NH+](CCO)C(C)C.[Cl-]
InChIInChI=1S/C8H19NO.ClH/c1-7(2)9(5-6-10)8(3)4;/h7-8,10H,5-6H2,1-4H3;1H
InChIKeyCZMTWIPIMQPLGH-UHFFFAOYSA-N
MW181.71 g/mol
LogP-3.32
Rot. Bonds4

About 2-hydroxyethyl-di(propan-2-yl)azanium chloride

2-hydroxyethyl-di(propan-2-yl)azanium chloride (PubChem CID 139056653) has the molecular formula C8H20ClNO and a molecular weight of 181.71 g/mol. Its IUPAC name is 2-hydroxyethyl-di(propan-2-yl)azanium chloride.

Molecular Properties

Compound Name2-hydroxyethyl-di(propan-2-yl)azanium chloride
PubChem CID139056653
Molecular FormulaC8H20ClNO
Molecular Weight181.71 g/mol
Exact Mass181.12
IUPAC Name2-hydroxyethyl-di(propan-2-yl)azanium chloride
SMILESCC(C)[NH+](CCO)C(C)C.[Cl-]
InChIInChI=1S/C8H19NO.ClH/c1-7(2)9(5-6-10)8(3)4;/h7-8,10H,5-6H2,1-4H3;1H
InChIKeyCZMTWIPIMQPLGH-UHFFFAOYSA-N
XLogP-3.32
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.71
LogP ≤ 5-3.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-di(propan-2-yl)azanium chloride?
The IUPAC name of 2-hydroxyethyl-di(propan-2-yl)azanium chloride (CID 139056653) is 2-hydroxyethyl-di(propan-2-yl)azanium chloride.
What is the SMILES notation for 2-hydroxyethyl-di(propan-2-yl)azanium chloride?
The canonical SMILES for 2-hydroxyethyl-di(propan-2-yl)azanium chloride is CC(C)[NH+](CCO)C(C)C.[Cl-].
What is the InChIKey of 2-hydroxyethyl-di(propan-2-yl)azanium chloride?
The InChIKey is CZMTWIPIMQPLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.ClH/c1-7(2)9(5-6-10)8(3)4;/h7-8,10H,5-6H2,1-4H3;1H.
What are the key properties of 2-hydroxyethyl-di(propan-2-yl)azanium chloride?
2-hydroxyethyl-di(propan-2-yl)azanium chloride has a molecular weight of 181.71 g/mol, XLogP of -3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-di(propan-2-yl)azanium chloride is sourced from PubChem (CID 139056653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).