2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine

C11H23NO2 — CID 104748684

IUPAC2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)CCOCC(N)C1CCOC1
InChIInChI=1S/C11H23NO2/c1-9(2)3-5-14-8-11(12)10-4-6-13-7-10/h9-11H,3-8,12H2,1-2H3
InChIKeyQMLMLMBQCGCXLR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.41
Rot. Bonds6

About 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine

2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 104748684) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
PubChem CID104748684
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)CCOCC(N)C1CCOC1
InChIInChI=1S/C11H23NO2/c1-9(2)3-5-14-8-11(12)10-4-6-13-7-10/h9-11H,3-8,12H2,1-2H3
InChIKeyQMLMLMBQCGCXLR-UHFFFAOYSA-N
XLogP1.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
1-cyclopropyl-2-(4-methylpentoxy)ethanamine
CID 63906046
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine
CID 104749361
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
1-(oxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148093
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745597
1-(oxolan-3-yl)butan-1-amine
CID 63564938
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine (CID 104748684) is 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine is CC(C)CCOCC(N)C1CCOC1.
What is the InChIKey of 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is QMLMLMBQCGCXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)3-5-14-8-11(12)10-4-6-13-7-10/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine?
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).