2-cyclobutyl-2-ethoxyethanamine;hydrochloride

C8H18ClNO — CID 146082534

IUPAC2-cyclobutyl-2-ethoxyethanamine;hydrochloride
SMILESCCOC(CN)C1CCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-10-8(6-9)7-4-3-5-7;/h7-8H,2-6,9H2,1H3;1H
InChIKeyOABMOIAFVPZFIS-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.57
Rot. Bonds4

About 2-cyclobutyl-2-ethoxyethanamine;hydrochloride

2-cyclobutyl-2-ethoxyethanamine;hydrochloride (PubChem CID 146082534) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-cyclobutyl-2-ethoxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-2-ethoxyethanamine;hydrochloride
PubChem CID146082534
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-cyclobutyl-2-ethoxyethanamine;hydrochloride
SMILESCCOC(CN)C1CCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-2-10-8(6-9)7-4-3-5-7;/h7-8H,2-6,9H2,1H3;1H
InChIKeyOABMOIAFVPZFIS-UHFFFAOYSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-ethoxyethanamine;hydrochloride?
The IUPAC name of 2-cyclobutyl-2-ethoxyethanamine;hydrochloride (CID 146082534) is 2-cyclobutyl-2-ethoxyethanamine;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-2-ethoxyethanamine;hydrochloride?
The canonical SMILES for 2-cyclobutyl-2-ethoxyethanamine;hydrochloride is CCOC(CN)C1CCC1.Cl.
What is the InChIKey of 2-cyclobutyl-2-ethoxyethanamine;hydrochloride?
The InChIKey is OABMOIAFVPZFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-2-10-8(6-9)7-4-3-5-7;/h7-8H,2-6,9H2,1H3;1H.
What are the key properties of 2-cyclobutyl-2-ethoxyethanamine;hydrochloride?
2-cyclobutyl-2-ethoxyethanamine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-ethoxyethanamine;hydrochloride is sourced from PubChem (CID 146082534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).