dimethyl(dipropyl)azanium hydroxide

C8H21NO — CID 22056564

IUPACdimethyl(dipropyl)azanium hydroxide
SMILESCCC[N+](C)(C)CCC.[OH-]
InChIInChI=1S/C8H20N.H2O/c1-5-7-9(3,4)8-6-2;/h5-8H2,1-4H3;1H2/q+1;/p-1
InChIKeyOSSXLTCIVXOQNK-UHFFFAOYSA-M
MW147.26 g/mol
LogP1.71
Rot. Bonds4

About dimethyl(dipropyl)azanium hydroxide

dimethyl(dipropyl)azanium hydroxide (PubChem CID 22056564) has the molecular formula C8H21NO and a molecular weight of 147.26 g/mol. Its IUPAC name is dimethyl(dipropyl)azanium hydroxide.

Molecular Properties

Compound Namedimethyl(dipropyl)azanium hydroxide
PubChem CID22056564
Molecular FormulaC8H21NO
Molecular Weight147.26 g/mol
Exact Mass147.16
IUPAC Namedimethyl(dipropyl)azanium hydroxide
SMILESCCC[N+](C)(C)CCC.[OH-]
InChIInChI=1S/C8H20N.H2O/c1-5-7-9(3,4)8-6-2;/h5-8H2,1-4H3;1H2/q+1;/p-1
InChIKeyOSSXLTCIVXOQNK-UHFFFAOYSA-M
XLogP1.71
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(dipropyl)azanium hydroxide?
The IUPAC name of dimethyl(dipropyl)azanium hydroxide (CID 22056564) is dimethyl(dipropyl)azanium hydroxide.
What is the SMILES notation for dimethyl(dipropyl)azanium hydroxide?
The canonical SMILES for dimethyl(dipropyl)azanium hydroxide is CCC[N+](C)(C)CCC.[OH-].
What is the InChIKey of dimethyl(dipropyl)azanium hydroxide?
The InChIKey is OSSXLTCIVXOQNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.H2O/c1-5-7-9(3,4)8-6-2;/h5-8H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of dimethyl(dipropyl)azanium hydroxide?
dimethyl(dipropyl)azanium hydroxide has a molecular weight of 147.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(dipropyl)azanium hydroxide is sourced from PubChem (CID 22056564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).