4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol

C12H25NO2 — CID 163735187

IUPAC4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol
SMILESCCC(C)(C)OCNC1CCC(O)CC1
InChIInChI=1S/C12H25NO2/c1-4-12(2,3)15-9-13-10-5-7-11(14)8-6-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyLCZHBSOGOFLHFG-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.04
Rot. Bonds5

About 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol

4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol (PubChem CID 163735187) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol
PubChem CID163735187
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol
SMILESCCC(C)(C)OCNC1CCC(O)CC1
InChIInChI=1S/C12H25NO2/c1-4-12(2,3)15-9-13-10-5-7-11(14)8-6-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyLCZHBSOGOFLHFG-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol (CID 163735187) is 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol is CCC(C)(C)OCNC1CCC(O)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol?
The InChIKey is LCZHBSOGOFLHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-12(2,3)15-9-13-10-5-7-11(14)8-6-10/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol?
4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yloxymethylamino)cyclohexan-1-ol is sourced from PubChem (CID 163735187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).