1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol

C11H23NO2 — CID 114493748

IUPAC1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNC1(CO)CCC1
InChIInChI=1S/C11H23NO2/c1-9(2)10(3,14)7-12-11(8-13)5-4-6-11/h9,12-14H,4-8H2,1-3H3
InChIKeyGPHRULRZEFCKGG-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.90
Rot. Bonds5

About 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol

1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 114493748) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol
PubChem CID114493748
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNC1(CO)CCC1
InChIInChI=1S/C11H23NO2/c1-9(2)10(3,14)7-12-11(8-13)5-4-6-11/h9,12-14H,4-8H2,1-3H3
InChIKeyGPHRULRZEFCKGG-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol (CID 114493748) is 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNC1(CO)CCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is GPHRULRZEFCKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)10(3,14)7-12-11(8-13)5-4-6-11/h9,12-14H,4-8H2,1-3H3.
What are the key properties of 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol?
1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114493748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).