dimethylazanium;propane-1,2-diol;chloride

C5H16ClNO2 — CID 158629461

IUPACdimethylazanium;propane-1,2-diol;chloride
SMILESCC(O)CO.C[NH2+]C.[Cl-]
InChIInChI=1S/C3H8O2.C2H7N.ClH/c1-3(5)2-4;1-3-2;/h3-5H,2H2,1H3;3H,1-2H3;1H
InChIKeyYOLJKNRKXGXCAI-UHFFFAOYSA-N
MW157.64 g/mol
LogP-4.83
Rot. Bonds1

About dimethylazanium;propane-1,2-diol;chloride

dimethylazanium;propane-1,2-diol;chloride (PubChem CID 158629461) has the molecular formula C5H16ClNO2 and a molecular weight of 157.64 g/mol. Its IUPAC name is dimethylazanium;propane-1,2-diol;chloride.

Molecular Properties

Compound Namedimethylazanium;propane-1,2-diol;chloride
PubChem CID158629461
Molecular FormulaC5H16ClNO2
Molecular Weight157.64 g/mol
Exact Mass157.09
IUPAC Namedimethylazanium;propane-1,2-diol;chloride
SMILESCC(O)CO.C[NH2+]C.[Cl-]
InChIInChI=1S/C3H8O2.C2H7N.ClH/c1-3(5)2-4;1-3-2;/h3-5H,2H2,1H3;3H,1-2H3;1H
InChIKeyYOLJKNRKXGXCAI-UHFFFAOYSA-N
XLogP-4.83
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 5-4.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

propane-1,2-diol
CID 23506506
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
methanol;propane-1,2-diol;hydrochloride
CID 88632623
CID 158929584
CID 158929584
chloroform;propane-1,2-diol
CID 159626759
methoxymethane;propane-1,2-diol
CID 23435252
propane-1,2-diol;1,1,2,2-tetrafluoroethene
CID 174777178
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
nitroxyl;propane-1,2-diol
CID 175455323
CID 87205903
CID 87205903

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;propane-1,2-diol;chloride?
The IUPAC name of dimethylazanium;propane-1,2-diol;chloride (CID 158629461) is dimethylazanium;propane-1,2-diol;chloride.
What is the SMILES notation for dimethylazanium;propane-1,2-diol;chloride?
The canonical SMILES for dimethylazanium;propane-1,2-diol;chloride is CC(O)CO.C[NH2+]C.[Cl-].
What is the InChIKey of dimethylazanium;propane-1,2-diol;chloride?
The InChIKey is YOLJKNRKXGXCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C2H7N.ClH/c1-3(5)2-4;1-3-2;/h3-5H,2H2,1H3;3H,1-2H3;1H.
What are the key properties of dimethylazanium;propane-1,2-diol;chloride?
dimethylazanium;propane-1,2-diol;chloride has a molecular weight of 157.64 g/mol, XLogP of -4.83, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;propane-1,2-diol;chloride is sourced from PubChem (CID 158629461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).