2-(3-tert-butyloxan-3-yl)ethanamine

C11H23NO — CID 83817500

IUPAC2-(3-tert-butyloxan-3-yl)ethanamine
SMILESCC(C)(C)C1(CCN)CCCOC1
InChIInChI=1S/C11H23NO/c1-10(2,3)11(6-7-12)5-4-8-13-9-11/h4-9,12H2,1-3H3
InChIKeyFDXBFRNEZFRABR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds2

About 2-(3-tert-butyloxan-3-yl)ethanamine

2-(3-tert-butyloxan-3-yl)ethanamine (PubChem CID 83817500) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(3-tert-butyloxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyloxan-3-yl)ethanamine
PubChem CID83817500
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(3-tert-butyloxan-3-yl)ethanamine
SMILESCC(C)(C)C1(CCN)CCCOC1
InChIInChI=1S/C11H23NO/c1-10(2,3)11(6-7-12)5-4-8-13-9-11/h4-9,12H2,1-3H3
InChIKeyFDXBFRNEZFRABR-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-tert-butyloxolan-3-yl)methanamine
CID 83815554
2-[3-(2-methylpropyl)oxan-3-yl]ethanamine
CID 83817501
3-(2-aminoethyl)oxan-3-ol
CID 79123930
1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol
CID 113246827
methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate
CID 66098608
2-(3-tert-butylthiolan-3-yl)ethanamine
CID 83817750
[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride
CID 168963553
[3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine
CID 79188765
2-(3-fluorooxan-3-yl)propan-2-amine
CID 105431698
3-methyl-3-(2-methylbutan-2-yl)oxane
CID 144692005
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine
CID 83822644

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyloxan-3-yl)ethanamine?
The IUPAC name of 2-(3-tert-butyloxan-3-yl)ethanamine (CID 83817500) is 2-(3-tert-butyloxan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyloxan-3-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butyloxan-3-yl)ethanamine is CC(C)(C)C1(CCN)CCCOC1.
What is the InChIKey of 2-(3-tert-butyloxan-3-yl)ethanamine?
The InChIKey is FDXBFRNEZFRABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)11(6-7-12)5-4-8-13-9-11/h4-9,12H2,1-3H3.
What are the key properties of 2-(3-tert-butyloxan-3-yl)ethanamine?
2-(3-tert-butyloxan-3-yl)ethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyloxan-3-yl)ethanamine is sourced from PubChem (CID 83817500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).