2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol

C12H25NO2 — CID 79064392

IUPAC2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol
SMILESCCC(C)(C(O)C1CCOCC1)N(C)C
InChIInChI=1S/C12H25NO2/c1-5-12(2,13(3)4)11(14)10-6-8-15-9-7-10/h10-11,14H,5-9H2,1-4H3
InChIKeyYQFCVYGYAAQUKA-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds4

About 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol

2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol (PubChem CID 79064392) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol
PubChem CID79064392
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol
SMILESCCC(C)(C(O)C1CCOCC1)N(C)C
InChIInChI=1S/C12H25NO2/c1-5-12(2,13(3)4)11(14)10-6-8-15-9-7-10/h10-11,14H,5-9H2,1-4H3
InChIKeyYQFCVYGYAAQUKA-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064519
2-(dimethylamino)-1-(4-ethylcyclohexyl)-2-methylbutan-1-ol
CID 79063478
1-N-ethyl-2-N,2-N,2-trimethyl-1-(oxan-4-yl)butane-1,2-diamine
CID 79063154
2-ethyl-1-(oxan-4-yl)butane-1,2-diol
CID 103449502
2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol
CID 116752752
2-(dimethylamino)-2-ethyl-1-(oxolan-3-yl)butan-1-ol
CID 79061948
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
CID 79065730
dimethylamino(oxan-4-yl)methanol
CID 116909646
1-cyclohexyl-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79065772
3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
CID 63937877
1-cyclohexyl-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046048
1-(oxepan-4-yl)propan-1-ol
CID 79298601

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol (CID 79064392) is 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol is CCC(C)(C(O)C1CCOCC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol?
The InChIKey is YQFCVYGYAAQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(2,13(3)4)11(14)10-6-8-15-9-7-10/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol?
2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol is sourced from PubChem (CID 79064392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).