2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine

C15H29NO — CID 19040161

IUPAC2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine
SMILESCC(C)(C)C1CCC2(CC1)CC(CCN)CO2
InChIInChI=1S/C15H29NO/c1-14(2,3)13-4-7-15(8-5-13)10-12(6-9-16)11-17-15/h12-13H,4-11,16H2,1-3H3
InChIKeyMSSOHDFPNNTQOQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.35
Rot. Bonds2

About 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine

2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine (PubChem CID 19040161) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine
PubChem CID19040161
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine
SMILESCC(C)(C)C1CCC2(CC1)CC(CCN)CO2
InChIInChI=1S/C15H29NO/c1-14(2,3)13-4-7-15(8-5-13)10-12(6-9-16)11-17-15/h12-13H,4-11,16H2,1-3H3
InChIKeyMSSOHDFPNNTQOQ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine?
The IUPAC name of 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine (CID 19040161) is 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine.
What is the SMILES notation for 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine?
The canonical SMILES for 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine is CC(C)(C)C1CCC2(CC1)CC(CCN)CO2.
What is the InChIKey of 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine?
The InChIKey is MSSOHDFPNNTQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)13-4-7-15(8-5-13)10-12(6-9-16)11-17-15/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine?
2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine is sourced from PubChem (CID 19040161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).