3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol

C11H25NO2 — CID 106185432

IUPAC3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol
SMILESCOCCC(C)NC(C)(C)C(C)(C)O
InChIInChI=1S/C11H25NO2/c1-9(7-8-14-6)12-10(2,3)11(4,5)13/h9,12-13H,7-8H2,1-6H3
InChIKeyUIJXATZPVDBCQQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds6

About 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol

3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol (PubChem CID 106185432) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol
PubChem CID106185432
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol
SMILESCOCCC(C)NC(C)(C)C(C)(C)O
InChIInChI=1S/C11H25NO2/c1-9(7-8-14-6)12-10(2,3)11(4,5)13/h9,12-13H,7-8H2,1-6H3
InChIKeyUIJXATZPVDBCQQ-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179
2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol
CID 107850471
N-(4-methoxybutan-2-yl)-2-methylpentan-2-amine
CID 115920019
N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine
CID 63998115
N-(2-cyclopropylpropan-2-yl)-4-methoxybutan-2-amine
CID 103931910
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
CID 66168803
1-amino-3-(4-methoxybutan-2-yl)thiourea
CID 64603866
2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
2-amino-N-(4-methoxybutan-2-yl)-2-methylbutanamide
CID 79811923
N-(4-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
CID 115892877
1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol
CID 116500217

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol (CID 106185432) is 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol is COCCC(C)NC(C)(C)C(C)(C)O.
What is the InChIKey of 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is UIJXATZPVDBCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(7-8-14-6)12-10(2,3)11(4,5)13/h9,12-13H,7-8H2,1-6H3.
What are the key properties of 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol?
3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106185432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).