3-(diethylamino)cyclobutan-1-ol;hydrochloride

C8H18ClNO — CID 68763854

IUPAC3-(diethylamino)cyclobutan-1-ol;hydrochloride
SMILESCCN(CC)C1CC(O)C1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-3-9(4-2)7-5-8(10)6-7;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyMXUIQEKKLNQSBQ-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.27
Rot. Bonds3

About 3-(diethylamino)cyclobutan-1-ol;hydrochloride

3-(diethylamino)cyclobutan-1-ol;hydrochloride (PubChem CID 68763854) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 3-(diethylamino)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)cyclobutan-1-ol;hydrochloride
PubChem CID68763854
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name3-(diethylamino)cyclobutan-1-ol;hydrochloride
SMILESCCN(CC)C1CC(O)C1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-3-9(4-2)7-5-8(10)6-7;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyMXUIQEKKLNQSBQ-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)cyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-(diethylamino)cyclobutan-1-ol;hydrochloride (CID 68763854) is 3-(diethylamino)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-(diethylamino)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-(diethylamino)cyclobutan-1-ol;hydrochloride is CCN(CC)C1CC(O)C1.Cl.
What is the InChIKey of 3-(diethylamino)cyclobutan-1-ol;hydrochloride?
The InChIKey is MXUIQEKKLNQSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-3-9(4-2)7-5-8(10)6-7;/h7-8,10H,3-6H2,1-2H3;1H.
What are the key properties of 3-(diethylamino)cyclobutan-1-ol;hydrochloride?
3-(diethylamino)cyclobutan-1-ol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 68763854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).