bis(N,N-dimethylmethanamine);hydrate

C6H20N2O — CID 87842348

IUPACbis(N,N-dimethylmethanamine);hydrate
SMILESCN(C)C.CN(C)C.O
InChIInChI=1S/2C3H9N.H2O/c2*1-4(2)3;/h2*1-3H3;1H2
InChIKeyRNMCPHPUTRFLAC-UHFFFAOYSA-N
MW136.24 g/mol
LogP-0.47
Rot. Bonds

About bis(N,N-dimethylmethanamine);hydrate

bis(N,N-dimethylmethanamine);hydrate (PubChem CID 87842348) has the molecular formula C6H20N2O and a molecular weight of 136.24 g/mol. Its IUPAC name is bis(N,N-dimethylmethanamine);hydrate.

Molecular Properties

Compound Namebis(N,N-dimethylmethanamine);hydrate
PubChem CID87842348
Molecular FormulaC6H20N2O
Molecular Weight136.24 g/mol
Exact Mass136.16
IUPAC Namebis(N,N-dimethylmethanamine);hydrate
SMILESCN(C)C.CN(C)C.O
InChIInChI=1S/2C3H9N.H2O/c2*1-4(2)3;/h2*1-3H3;1H2
InChIKeyRNMCPHPUTRFLAC-UHFFFAOYSA-N
XLogP-0.47
TPSA37.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylmethanamine);hydrate?
The IUPAC name of bis(N,N-dimethylmethanamine);hydrate (CID 87842348) is bis(N,N-dimethylmethanamine);hydrate.
What is the SMILES notation for bis(N,N-dimethylmethanamine);hydrate?
The canonical SMILES for bis(N,N-dimethylmethanamine);hydrate is CN(C)C.CN(C)C.O.
What is the InChIKey of bis(N,N-dimethylmethanamine);hydrate?
The InChIKey is RNMCPHPUTRFLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.H2O/c2*1-4(2)3;/h2*1-3H3;1H2.
What are the key properties of bis(N,N-dimethylmethanamine);hydrate?
bis(N,N-dimethylmethanamine);hydrate has a molecular weight of 136.24 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylmethanamine);hydrate is sourced from PubChem (CID 87842348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).