2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol

C10H21NO2 — CID 112634242

IUPAC2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol
SMILESCC(C)CONC1CC(O)C1(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)6-13-11-8-5-9(12)10(8,3)4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyHQUUGDHLMCBNCI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.32
Rot. Bonds4

About 2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol

2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol (PubChem CID 112634242) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol
PubChem CID112634242
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol
SMILESCC(C)CONC1CC(O)C1(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)6-13-11-8-5-9(12)10(8,3)4/h7-9,11-12H,5-6H2,1-4H3
InChIKeyHQUUGDHLMCBNCI-UHFFFAOYSA-N
XLogP1.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol (CID 112634242) is 2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol is CC(C)CONC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol?
The InChIKey is HQUUGDHLMCBNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)6-13-11-8-5-9(12)10(8,3)4/h7-9,11-12H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol?
2,2-dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 1.32, 4 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-methylpropoxyamino)cyclobutan-1-ol is sourced from PubChem (CID 112634242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).