2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol

C11H23NO2 — CID 104584797

IUPAC2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
SMILESCC(C)OCCNC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)14-6-5-12-9-7-10(13)11(9,3)4/h8-10,12-13H,5-7H2,1-4H3
InChIKeyLAYSNCPPMOHQMC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds5

About 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol

2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol (PubChem CID 104584797) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
PubChem CID104584797
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
SMILESCC(C)OCCNC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)14-6-5-12-9-7-10(13)11(9,3)4/h8-10,12-13H,5-7H2,1-4H3
InChIKeyLAYSNCPPMOHQMC-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
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-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
3-[2-(3-methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
CID 112633271
2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
CID 112633337
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-[(2-hydroxy-3-methoxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634064
3-[2-[butan-2-yl(methyl)amino]ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103951997
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanamide
CID 114629418

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol (CID 104584797) is 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol is CC(C)OCCNC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol?
The InChIKey is LAYSNCPPMOHQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)14-6-5-12-9-7-10(13)11(9,3)4/h8-10,12-13H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol is sourced from PubChem (CID 104584797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).