3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol

C9H19NO2 — CID 112633105

IUPAC3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCOCCNC1CC(O)C1(C)C
InChIInChI=1S/C9H19NO2/c1-9(2)7(6-8(9)11)10-4-5-12-3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyPXXURDVQLKRUBQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.38
Rot. Bonds4

About 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol

3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633105) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112633105
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCOCCNC1CC(O)C1(C)C
InChIInChI=1S/C9H19NO2/c1-9(2)7(6-8(9)11)10-4-5-12-3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyPXXURDVQLKRUBQ-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 115977450
2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
CID 104584797
3-[(2-hydroxy-3-methoxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634064
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633769
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
CID 107270162
3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol
CID 112634239
2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
CID 112633337

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol (CID 112633105) is 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol is COCCNC1CC(O)C1(C)C.
What is the InChIKey of 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is PXXURDVQLKRUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2)7(6-8(9)11)10-4-5-12-3/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol?
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).