4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane

C10H25NO — CID 166075634

IUPAC4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane
SMILESCC.CC(O)C(C)(C)CN(C)C
InChIInChI=1S/C8H19NO.C2H6/c1-7(10)8(2,3)6-9(4)5;1-2/h7,10H,6H2,1-5H3;1-2H3
InChIKeyMNXJXGSWFDISRW-UHFFFAOYSA-N
MW175.32 g/mol
LogP1.98
Rot. Bonds3

About 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane

4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane (PubChem CID 166075634) has the molecular formula C10H25NO and a molecular weight of 175.32 g/mol. Its IUPAC name is 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane.

Molecular Properties

Compound Name4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane
PubChem CID166075634
Molecular FormulaC10H25NO
Molecular Weight175.32 g/mol
Exact Mass175.19
IUPAC Name4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane
SMILESCC.CC(O)C(C)(C)CN(C)C
InChIInChI=1S/C8H19NO.C2H6/c1-7(10)8(2,3)6-9(4)5;1-2/h7,10H,6H2,1-5H3;1-2H3
InChIKeyMNXJXGSWFDISRW-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butyronitrile, 3,3-dimethyl-4-(dimethylamino)-2-hydroxy-
CID 44862
4-(Diethylamino)-3-methyl-2-butanol
CID 192774
4-(Diethylamino)butan-2-ol
CID 231594
2-Dimethylaminomethyl-3,3-dimethylbutanol-1
CID 10844688
1,2-Dimethyl-3-dimethylamino-propylalkohol
CID 12469677
(2R)-1-(dimethylamino)-3,3-dimethylbutan-2-ol
CID 58105895
2-[(Dimethylamino)methyl]-2-ethylpropane-1,3-diol
CID 117672
(4-Fluoro-2-hydroxy-3,3-dimethylbutyl)-trimethylazanium
CID 87169933
1-(Diethylamino)-3,3-dimethylbutan-2-ol
CID 21806587
3,3-Dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol
CID 66452191
3,3-Dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 66454335
4-[Ethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutan-2-ol
CID 66455206

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane?
The IUPAC name of 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane (CID 166075634) is 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane.
What is the SMILES notation for 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane?
The canonical SMILES for 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane is CC.CC(O)C(C)(C)CN(C)C.
What is the InChIKey of 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane?
The InChIKey is MNXJXGSWFDISRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C2H6/c1-7(10)8(2,3)6-9(4)5;1-2/h7,10H,6H2,1-5H3;1-2H3.
What are the key properties of 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane?
4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane has a molecular weight of 175.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane is sourced from PubChem (CID 166075634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).