4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol

C11H23NO2 — CID 106938707

IUPAC4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol
SMILESCC(C)(O)CCOC1CCCC(N)C1
InChIInChI=1S/C11H23NO2/c1-11(2,13)6-7-14-10-5-3-4-9(12)8-10/h9-10,13H,3-8,12H2,1-2H3
InChIKeyXHVVKBYHVUZXPC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds4

About 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol

4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol (PubChem CID 106938707) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol
PubChem CID106938707
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol
SMILESCC(C)(O)CCOC1CCCC(N)C1
InChIInChI=1S/C11H23NO2/c1-11(2,13)6-7-14-10-5-3-4-9(12)8-10/h9-10,13H,3-8,12H2,1-2H3
InChIKeyXHVVKBYHVUZXPC-UHFFFAOYSA-N
XLogP1.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol?
The IUPAC name of 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol (CID 106938707) is 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol?
The canonical SMILES for 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol is CC(C)(O)CCOC1CCCC(N)C1.
What is the InChIKey of 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol?
The InChIKey is XHVVKBYHVUZXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,13)6-7-14-10-5-3-4-9(12)8-10/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol?
4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol is sourced from PubChem (CID 106938707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).