bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride

C9H28Cl2N2O — CID 173170718

IUPACbis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride
SMILESCC(C)O.CN(C)C.CN(C)C.Cl.Cl
InChIInChI=1S/2C3H9N.C3H8O.2ClH/c2*1-4(2)3;1-3(2)4;;/h2*1-3H3;3-4H,1-2H3;2*1H
InChIKeyYYZVLHUEBOAPCN-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.59
Rot. Bonds

About bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride

bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride (PubChem CID 173170718) has the molecular formula C9H28Cl2N2O and a molecular weight of 251.24 g/mol. Its IUPAC name is bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride.

Molecular Properties

Compound Namebis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride
PubChem CID173170718
Molecular FormulaC9H28Cl2N2O
Molecular Weight251.24 g/mol
Exact Mass250.16
IUPAC Namebis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride
SMILESCC(C)O.CN(C)C.CN(C)C.Cl.Cl
InChIInChI=1S/2C3H9N.C3H8O.2ClH/c2*1-4(2)3;1-3(2)4;;/h2*1-3H3;3-4H,1-2H3;2*1H
InChIKeyYYZVLHUEBOAPCN-UHFFFAOYSA-N
XLogP1.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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propan-2-ol;vanadium;hydrate;dihydrochloride
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CID 18462529
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CID 85354423
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Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride?
The IUPAC name of bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride (CID 173170718) is bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride.
What is the SMILES notation for bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride?
The canonical SMILES for bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride is CC(C)O.CN(C)C.CN(C)C.Cl.Cl.
What is the InChIKey of bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride?
The InChIKey is YYZVLHUEBOAPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.C3H8O.2ClH/c2*1-4(2)3;1-3(2)4;;/h2*1-3H3;3-4H,1-2H3;2*1H.
What are the key properties of bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride?
bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride has a molecular weight of 251.24 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride is sourced from PubChem (CID 173170718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).