cyclobutanamine;ethyl formate;hydrochloride

C7H16ClNO2 — CID 174777526

IUPACcyclobutanamine;ethyl formate;hydrochloride
SMILESCCOC=O.Cl.NC1CCC1
InChIInChI=1S/C4H9N.C3H6O2.ClH/c5-4-2-1-3-4;1-2-5-3-4;/h4H,1-3,5H2;3H,2H2,1H3;1H
InChIKeyLOSYVHAUPRQAAJ-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.10
Rot. Bonds2

About cyclobutanamine;ethyl formate;hydrochloride

cyclobutanamine;ethyl formate;hydrochloride (PubChem CID 174777526) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is cyclobutanamine;ethyl formate;hydrochloride.

Molecular Properties

Compound Namecyclobutanamine;ethyl formate;hydrochloride
PubChem CID174777526
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namecyclobutanamine;ethyl formate;hydrochloride
SMILESCCOC=O.Cl.NC1CCC1
InChIInChI=1S/C4H9N.C3H6O2.ClH/c5-4-2-1-3-4;1-2-5-3-4;/h4H,1-3,5H2;3H,2H2,1H3;1H
InChIKeyLOSYVHAUPRQAAJ-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutanamine;ethyl formate;hydrochloride?
The IUPAC name of cyclobutanamine;ethyl formate;hydrochloride (CID 174777526) is cyclobutanamine;ethyl formate;hydrochloride.
What is the SMILES notation for cyclobutanamine;ethyl formate;hydrochloride?
The canonical SMILES for cyclobutanamine;ethyl formate;hydrochloride is CCOC=O.Cl.NC1CCC1.
What is the InChIKey of cyclobutanamine;ethyl formate;hydrochloride?
The InChIKey is LOSYVHAUPRQAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H6O2.ClH/c5-4-2-1-3-4;1-2-5-3-4;/h4H,1-3,5H2;3H,2H2,1H3;1H.
What are the key properties of cyclobutanamine;ethyl formate;hydrochloride?
cyclobutanamine;ethyl formate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanamine;ethyl formate;hydrochloride is sourced from PubChem (CID 174777526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).