3-(dimethylamino)-2-methylbutan-2-ol;ethane

C9H23NO — CID 144576524

IUPAC3-(dimethylamino)-2-methylbutan-2-ol;ethane
SMILESCC.CC(N(C)C)C(C)(C)O
InChIInChI=1S/C7H17NO.C2H6/c1-6(8(4)5)7(2,3)9;1-2/h6,9H,1-5H3;1-2H3
InChIKeyFJVUESOIPSQVCV-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.73
Rot. Bonds2

About 3-(dimethylamino)-2-methylbutan-2-ol;ethane

3-(dimethylamino)-2-methylbutan-2-ol;ethane (PubChem CID 144576524) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylbutan-2-ol;ethane.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylbutan-2-ol;ethane
PubChem CID144576524
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Name3-(dimethylamino)-2-methylbutan-2-ol;ethane
SMILESCC.CC(N(C)C)C(C)(C)O
InChIInChI=1S/C7H17NO.C2H6/c1-6(8(4)5)7(2,3)9;1-2/h6,9H,1-5H3;1-2H3
InChIKeyFJVUESOIPSQVCV-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl(213C)butan-2-ol
CID 100985919
3-(dimethylamino)-2,2-dimethylbutanoic acid
CID 115012461
2,3-dimethylbutan-2-ol;titanium
CID 151633599
1-N,1-N,3-N,3-N,2,2-hexamethylbutane-1,3-diamine
CID 19426586
N,N-dimethylpropan-2-amine;ethane
CID 143195472
3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
3-[benzyl(methyl)amino]-2-methylbutan-2-ol
CID 130666424
bis((2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol);2-methylpropan-2-ol;zirconium;dihydrate
CID 134991132
N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 164639616
2-bromobut-2-ene;4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 173324925
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylbutan-2-ol;ethane?
The IUPAC name of 3-(dimethylamino)-2-methylbutan-2-ol;ethane (CID 144576524) is 3-(dimethylamino)-2-methylbutan-2-ol;ethane.
What is the SMILES notation for 3-(dimethylamino)-2-methylbutan-2-ol;ethane?
The canonical SMILES for 3-(dimethylamino)-2-methylbutan-2-ol;ethane is CC.CC(N(C)C)C(C)(C)O.
What is the InChIKey of 3-(dimethylamino)-2-methylbutan-2-ol;ethane?
The InChIKey is FJVUESOIPSQVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C2H6/c1-6(8(4)5)7(2,3)9;1-2/h6,9H,1-5H3;1-2H3.
What are the key properties of 3-(dimethylamino)-2-methylbutan-2-ol;ethane?
3-(dimethylamino)-2-methylbutan-2-ol;ethane has a molecular weight of 161.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylbutan-2-ol;ethane is sourced from PubChem (CID 144576524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).