ethanamine;hydrate;dihydrochloride

C4H18Cl2N2O — CID 174570263

IUPACethanamine;hydrate;dihydrochloride
SMILESCCN.CCN.Cl.Cl.O
InChIInChI=1S/2C2H7N.2ClH.H2O/c2*1-2-3;;;/h2*2-3H2,1H3;2*1H;1H2
InChIKeyJLJSUFYUOIGZBU-UHFFFAOYSA-N
MW181.11 g/mol
LogP-0.05
Rot. Bonds

About ethanamine;hydrate;dihydrochloride

ethanamine;hydrate;dihydrochloride (PubChem CID 174570263) has the molecular formula C4H18Cl2N2O and a molecular weight of 181.11 g/mol. Its IUPAC name is ethanamine;hydrate;dihydrochloride.

Molecular Properties

Compound Nameethanamine;hydrate;dihydrochloride
PubChem CID174570263
Molecular FormulaC4H18Cl2N2O
Molecular Weight181.11 g/mol
Exact Mass180.08
IUPAC Nameethanamine;hydrate;dihydrochloride
SMILESCCN.CCN.Cl.Cl.O
InChIInChI=1S/2C2H7N.2ClH.H2O/c2*1-2-3;;;/h2*2-3H2,1H3;2*1H;1H2
InChIKeyJLJSUFYUOIGZBU-UHFFFAOYSA-N
XLogP-0.05
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 88517932
CID 88517932
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CID 22406574
N,N-dimethylmethanamine;ethanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of ethanamine;hydrate;dihydrochloride?
The IUPAC name of ethanamine;hydrate;dihydrochloride (CID 174570263) is ethanamine;hydrate;dihydrochloride.
What is the SMILES notation for ethanamine;hydrate;dihydrochloride?
The canonical SMILES for ethanamine;hydrate;dihydrochloride is CCN.CCN.Cl.Cl.O.
What is the InChIKey of ethanamine;hydrate;dihydrochloride?
The InChIKey is JLJSUFYUOIGZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7N.2ClH.H2O/c2*1-2-3;;;/h2*2-3H2,1H3;2*1H;1H2.
What are the key properties of ethanamine;hydrate;dihydrochloride?
ethanamine;hydrate;dihydrochloride has a molecular weight of 181.11 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;hydrate;dihydrochloride is sourced from PubChem (CID 174570263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).