1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol

C11H25NO3 — CID 104985809

IUPAC1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCCCOCCOC
InChIInChI=1S/C11H25NO3/c1-4-11(2,13)10-12-6-5-7-15-9-8-14-3/h12-13H,4-10H2,1-3H3
InChIKeyJTKAKBBISHJWEJ-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.79
Rot. Bonds10

About 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol

1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol (PubChem CID 104985809) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
PubChem CID104985809
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCCCOCCOC
InChIInChI=1S/C11H25NO3/c1-4-11(2,13)10-12-6-5-7-15-9-8-14-3/h12-13H,4-10H2,1-3H3
InChIKeyJTKAKBBISHJWEJ-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpropan-2-ol
CID 103179086
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine
CID 103406228
2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol
CID 106309987

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol (CID 104985809) is 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCCCOCCOC.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol?
The InChIKey is JTKAKBBISHJWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-4-11(2,13)10-12-6-5-7-15-9-8-14-3/h12-13H,4-10H2,1-3H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol?
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 0.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 104985809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).