bis(N,N-diethylethanamine);dihydrate

C12H34N2O2 — CID 173331052

IUPACbis(N,N-diethylethanamine);dihydrate
SMILESCCN(CC)CC.CCN(CC)CC.O.O
InChIInChI=1S/2C6H15N.2H2O/c2*1-4-7(5-2)6-3;;/h2*4-6H2,1-3H3;2*1H2
InChIKeyKMCKZPOMIRYHQO-UHFFFAOYSA-N
MW238.42 g/mol
LogP1.05
Rot. Bonds6

About bis(N,N-diethylethanamine);dihydrate

bis(N,N-diethylethanamine);dihydrate (PubChem CID 173331052) has the molecular formula C12H34N2O2 and a molecular weight of 238.42 g/mol. Its IUPAC name is bis(N,N-diethylethanamine);dihydrate.

Molecular Properties

Compound Namebis(N,N-diethylethanamine);dihydrate
PubChem CID173331052
Molecular FormulaC12H34N2O2
Molecular Weight238.42 g/mol
Exact Mass238.26
IUPAC Namebis(N,N-diethylethanamine);dihydrate
SMILESCCN(CC)CC.CCN(CC)CC.O.O
InChIInChI=1S/2C6H15N.2H2O/c2*1-4-7(5-2)6-3;;/h2*4-6H2,1-3H3;2*1H2
InChIKeyKMCKZPOMIRYHQO-UHFFFAOYSA-N
XLogP1.05
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylethanamine;hydrate;trihydrofluoride
CID 172684956
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine chloride
CID 22292735
N,N-diethylethanamine;palladium(2+)
CID 22219787
CID 175820473
CID 175820473
lithium;N,N-diethylethanamine;hydride
CID 161206277
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
CID 173397842
CID 173397842
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
N,N-diethylethanamine;neodymium(3+);trichloride
CID 173208753

Frequently Asked Questions

What is the IUPAC name of bis(N,N-diethylethanamine);dihydrate?
The IUPAC name of bis(N,N-diethylethanamine);dihydrate (CID 173331052) is bis(N,N-diethylethanamine);dihydrate.
What is the SMILES notation for bis(N,N-diethylethanamine);dihydrate?
The canonical SMILES for bis(N,N-diethylethanamine);dihydrate is CCN(CC)CC.CCN(CC)CC.O.O.
What is the InChIKey of bis(N,N-diethylethanamine);dihydrate?
The InChIKey is KMCKZPOMIRYHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.2H2O/c2*1-4-7(5-2)6-3;;/h2*4-6H2,1-3H3;2*1H2.
What are the key properties of bis(N,N-diethylethanamine);dihydrate?
bis(N,N-diethylethanamine);dihydrate has a molecular weight of 238.42 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-diethylethanamine);dihydrate is sourced from PubChem (CID 173331052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).