2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride

C7H22Cl2N2O3 — CID 175534832

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)C.Cl.Cl.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C3H9N.2ClH/c5-4(1-6,2-7)3-8;1-4(2)3;;/h6-8H,1-3,5H2;1-3H3;2*1H
InChIKeyRUHJMCBGLQBHFU-UHFFFAOYSA-N
MW253.17 g/mol
LogP-1.32
Rot. Bonds3

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride

2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride (PubChem CID 175534832) has the molecular formula C7H22Cl2N2O3 and a molecular weight of 253.17 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride
PubChem CID175534832
Molecular FormulaC7H22Cl2N2O3
Molecular Weight253.17 g/mol
Exact Mass252.10
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)C.Cl.Cl.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C3H9N.2ClH/c5-4(1-6,2-7)3-8;1-4(2)3;;/h6-8H,1-3,5H2;1-3H3;2*1H
InChIKeyRUHJMCBGLQBHFU-UHFFFAOYSA-N
XLogP-1.32
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride (CID 175534832) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride is CN(C)C.Cl.Cl.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride?
The InChIKey is RUHJMCBGLQBHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.C3H9N.2ClH/c5-4(1-6,2-7)3-8;1-4(2)3;;/h6-8H,1-3,5H2;1-3H3;2*1H.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride?
2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride has a molecular weight of 253.17 g/mol, XLogP of -1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride is sourced from PubChem (CID 175534832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).