4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol

C14H29NO2 — CID 165498695

IUPAC4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
SMILESCOCCN(C)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-14(2,3)12-7-6-11(16)10-13(12)15(4)8-9-17-5/h11-13,16H,6-10H2,1-5H3
InChIKeyJAUPCOPCZARZGG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.14
Rot. Bonds4

About 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol

4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol (PubChem CID 165498695) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
PubChem CID165498695
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
SMILESCOCCN(C)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-14(2,3)12-7-6-11(16)10-13(12)15(4)8-9-17-5/h11-13,16H,6-10H2,1-5H3
InChIKeyJAUPCOPCZARZGG-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol (CID 165498695) is 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol is COCCN(C)C1CC(O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is JAUPCOPCZARZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-14(2,3)12-7-6-11(16)10-13(12)15(4)8-9-17-5/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol?
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165498695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).