4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol

C12H27NO2 — CID 118429106

IUPAC4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)OCCN(C)CCC(C)(C)O
InChIInChI=1S/C12H27NO2/c1-6-11(2)15-10-9-13(5)8-7-12(3,4)14/h11,14H,6-10H2,1-5H3
InChIKeyRKFZXUFVJCXZHF-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.89
Rot. Bonds8

About 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol

4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol (PubChem CID 118429106) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol
PubChem CID118429106
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)OCCN(C)CCC(C)(C)O
InChIInChI=1S/C12H27NO2/c1-6-11(2)15-10-9-13(5)8-7-12(3,4)14/h11,14H,6-10H2,1-5H3
InChIKeyRKFZXUFVJCXZHF-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol (CID 118429106) is 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol is CCC(C)OCCN(C)CCC(C)(C)O.
What is the InChIKey of 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol?
The InChIKey is RKFZXUFVJCXZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-11(2)15-10-9-13(5)8-7-12(3,4)14/h11,14H,6-10H2,1-5H3.
What are the key properties of 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol?
4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 118429106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).