3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride

C9H20ClNO — CID 139013310

IUPAC3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride
SMILESCOC1C(C)(C)C(N)C1(C)C.Cl
InChIInChI=1S/C9H19NO.ClH/c1-8(2)6(10)9(3,4)7(8)11-5;/h6-7H,10H2,1-5H3;1H
InChIKeyYRBPYAADGSAOFX-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.82
Rot. Bonds1

About 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride

3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride (PubChem CID 139013310) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride
PubChem CID139013310
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride
SMILESCOC1C(C)(C)C(N)C1(C)C.Cl
InChIInChI=1S/C9H19NO.ClH/c1-8(2)6(10)9(3,4)7(8)11-5;/h6-7H,10H2,1-5H3;1H
InChIKeyYRBPYAADGSAOFX-UHFFFAOYSA-N
XLogP1.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride (CID 139013310) is 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride is COC1C(C)(C)C(N)C1(C)C.Cl.
What is the InChIKey of 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride?
The InChIKey is YRBPYAADGSAOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-8(2)6(10)9(3,4)7(8)11-5;/h6-7H,10H2,1-5H3;1H.
What are the key properties of 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride?
3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,4,4-tetramethylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 139013310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).