3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol

C11H25NO3 — CID 114358317

IUPAC3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol
SMILESCOCC(N)C(CO)OCCC(C)(C)C
InChIInChI=1S/C11H25NO3/c1-11(2,3)5-6-15-10(7-13)9(12)8-14-4/h9-10,13H,5-8,12H2,1-4H3
InChIKeyRQLVGOYLKNJSDF-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.77
Rot. Bonds7

About 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol

3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol (PubChem CID 114358317) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol
PubChem CID114358317
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol
SMILESCOCC(N)C(CO)OCCC(C)(C)C
InChIInChI=1S/C11H25NO3/c1-11(2,3)5-6-15-10(7-13)9(12)8-14-4/h9-10,13H,5-8,12H2,1-4H3
InChIKeyRQLVGOYLKNJSDF-UHFFFAOYSA-N
XLogP0.77
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxy-2-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 114358390
3-amino-2-hexoxy-4-methoxybutan-1-ol
CID 114358118
2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine
CID 103228824
3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol
CID 114358200
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
3-amino-4-methoxy-2-[(3-methylcyclohexyl)methoxy]butan-1-ol
CID 114197074
3-amino-2-[2-(2-methoxyethoxy)ethoxy]-5-methylhexan-1-ol
CID 114358392
2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228823
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
3-amino-2-(2-hydroxyethoxy)butan-1-ol
CID 134265576
3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
CID 114370505
3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106447308

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol?
The IUPAC name of 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol (CID 114358317) is 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol.
What is the SMILES notation for 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol?
The canonical SMILES for 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol is COCC(N)C(CO)OCCC(C)(C)C.
What is the InChIKey of 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol?
The InChIKey is RQLVGOYLKNJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-11(2,3)5-6-15-10(7-13)9(12)8-14-4/h9-10,13H,5-8,12H2,1-4H3.
What are the key properties of 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol?
3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol is sourced from PubChem (CID 114358317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).