3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol

C14H27NO2 — CID 67801492

IUPAC3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol
SMILESCC(C)(C)C1OC2(CCCCC2)CC1(O)CN
InChIInChI=1S/C14H27NO2/c1-12(2,3)11-14(16,10-15)9-13(17-11)7-5-4-6-8-13/h11,16H,4-10,15H2,1-3H3
InChIKeyXWHJYMQKWYTBEE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds1

About 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol

3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol (PubChem CID 67801492) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol
PubChem CID67801492
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol
SMILESCC(C)(C)C1OC2(CCCCC2)CC1(O)CN
InChIInChI=1S/C14H27NO2/c1-12(2,3)11-14(16,10-15)9-13(17-11)7-5-4-6-8-13/h11,16H,4-10,15H2,1-3H3
InChIKeyXWHJYMQKWYTBEE-UHFFFAOYSA-N
XLogP2.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol?
The IUPAC name of 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol (CID 67801492) is 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol?
The canonical SMILES for 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol is CC(C)(C)C1OC2(CCCCC2)CC1(O)CN.
What is the InChIKey of 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol?
The InChIKey is XWHJYMQKWYTBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2,3)11-14(16,10-15)9-13(17-11)7-5-4-6-8-13/h11,16H,4-10,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol?
3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol has a molecular weight of 241.37 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol is sourced from PubChem (CID 67801492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).