3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol

C12H27NO2 — CID 102977870

IUPAC3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol
SMILESCOC(C)(C)CCNC(C)(C)C(C)(C)O
InChIInChI=1S/C12H27NO2/c1-10(2,15-7)8-9-13-11(3,4)12(5,6)14/h13-14H,8-9H2,1-7H3
InChIKeyHKLHUWJGWSGXHE-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.94
Rot. Bonds6

About 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol

3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 102977870) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID102977870
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol
SMILESCOC(C)(C)CCNC(C)(C)C(C)(C)O
InChIInChI=1S/C12H27NO2/c1-10(2,15-7)8-9-13-11(3,4)12(5,6)14/h13-14H,8-9H2,1-7H3
InChIKeyHKLHUWJGWSGXHE-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methoxy-3-methylbutyl)-2-methylbutan-2-amine
CID 103037274
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 103033421
N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]ethyl]acetamide
CID 103993631
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
2,3-dimethyl-3-(nonylamino)butan-2-ol
CID 106189952
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
3-[(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
CID 103993368
7-methoxy-7-methyloctan-1-ol
CID 175444354

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol (CID 102977870) is 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol is COC(C)(C)CCNC(C)(C)C(C)(C)O.
What is the InChIKey of 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is HKLHUWJGWSGXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(2,15-7)8-9-13-11(3,4)12(5,6)14/h13-14H,8-9H2,1-7H3.
What are the key properties of 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol?
3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 102977870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).