cyclobutanamine;dihydrate;dihydrochloride

C4H15Cl2NO2 — CID 141148758

IUPACcyclobutanamine;dihydrate;dihydrochloride
SMILESCl.Cl.NC1CCC1.O.O
InChIInChI=1S/C4H9N.2ClH.2H2O/c5-4-2-1-3-4;;;;/h4H,1-3,5H2;2*1H;2*1H2
InChIKeyAGLLYNGMCFXPRC-UHFFFAOYSA-N
MW180.07 g/mol
LogP-0.31
Rot. Bonds

About cyclobutanamine;dihydrate;dihydrochloride

cyclobutanamine;dihydrate;dihydrochloride (PubChem CID 141148758) has the molecular formula C4H15Cl2NO2 and a molecular weight of 180.07 g/mol. Its IUPAC name is cyclobutanamine;dihydrate;dihydrochloride.

Molecular Properties

Compound Namecyclobutanamine;dihydrate;dihydrochloride
PubChem CID141148758
Molecular FormulaC4H15Cl2NO2
Molecular Weight180.07 g/mol
Exact Mass179.05
IUPAC Namecyclobutanamine;dihydrate;dihydrochloride
SMILESCl.Cl.NC1CCC1.O.O
InChIInChI=1S/C4H9N.2ClH.2H2O/c5-4-2-1-3-4;;;;/h4H,1-3,5H2;2*1H;2*1H2
InChIKeyAGLLYNGMCFXPRC-UHFFFAOYSA-N
XLogP-0.31
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.07
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutanamine;dihydrate;dihydrochloride?
The IUPAC name of cyclobutanamine;dihydrate;dihydrochloride (CID 141148758) is cyclobutanamine;dihydrate;dihydrochloride.
What is the SMILES notation for cyclobutanamine;dihydrate;dihydrochloride?
The canonical SMILES for cyclobutanamine;dihydrate;dihydrochloride is Cl.Cl.NC1CCC1.O.O.
What is the InChIKey of cyclobutanamine;dihydrate;dihydrochloride?
The InChIKey is AGLLYNGMCFXPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.2ClH.2H2O/c5-4-2-1-3-4;;;;/h4H,1-3,5H2;2*1H;2*1H2.
What are the key properties of cyclobutanamine;dihydrate;dihydrochloride?
cyclobutanamine;dihydrate;dihydrochloride has a molecular weight of 180.07 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanamine;dihydrate;dihydrochloride is sourced from PubChem (CID 141148758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).