2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine

C10H21NO2 — CID 104748924

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
SMILESCC(C)(C)OCC(N)C1CCOC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-7-9(11)8-4-5-12-6-8/h8-9H,4-7,11H2,1-3H3
InChIKeyCVLBQRVAPUTOTR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine

2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine (PubChem CID 104748924) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
PubChem CID104748924
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
SMILESCC(C)(C)OCC(N)C1CCOC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-7-9(11)8-4-5-12-6-8/h8-9H,4-7,11H2,1-3H3
InChIKeyCVLBQRVAPUTOTR-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
CID 105147172
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
5,5-dimethyl-1-(oxolan-3-yl)hex-3-yn-1-amine
CID 126973745
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
2-ethoxy-2-methyl-1-(oxolan-3-yl)propan-1-amine
CID 116726248
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
1-(oxolan-3-yl)butan-1-amine
CID 63564938
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine
CID 104749361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine (CID 104748924) is 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine is CC(C)(C)OCC(N)C1CCOC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine?
The InChIKey is CVLBQRVAPUTOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)13-7-9(11)8-4-5-12-6-8/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine?
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine has a molecular weight of 187.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).