4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol

C11H25NO2 — CID 111860116

IUPAC4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol
SMILESCOCC(C)(CCO)NCCC(C)C
InChIInChI=1S/C11H25NO2/c1-10(2)5-7-12-11(3,6-8-13)9-14-4/h10,12-13H,5-9H2,1-4H3
InChIKeyCSKPSBIFPYGHOM-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds8

About 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol

4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol (PubChem CID 111860116) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol
PubChem CID111860116
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol
SMILESCOCC(C)(CCO)NCCC(C)C
InChIInChI=1S/C11H25NO2/c1-10(2)5-7-12-11(3,6-8-13)9-14-4/h10,12-13H,5-9H2,1-4H3
InChIKeyCSKPSBIFPYGHOM-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol
CID 170393196
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
CID 176553145
4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol
CID 106841450
(3S)-3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-4-methoxy-3-methylbutan-1-ol
CID 98220567
3-(3-methoxypropylamino)-3-methylpentan-1-ol
CID 103950077
3-[(2,5-dichloro-4-methoxyphenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 109379821
3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine
CID 177062263
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
2-[[2-methyl-2-(3-methylbutylamino)propyl]amino]ethanol
CID 144849079
3-[(2,4-dimethylphenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824927
(3R)-4-methoxy-3-methyl-3-[[(2R)-oxan-2-yl]methylamino]butan-1-ol
CID 97046341

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol (CID 111860116) is 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol is COCC(C)(CCO)NCCC(C)C.
What is the InChIKey of 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol?
The InChIKey is CSKPSBIFPYGHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(2)5-7-12-11(3,6-8-13)9-14-4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol?
4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol is sourced from PubChem (CID 111860116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).