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

C14H27NO — CID 19040151

IUPAC(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine
SMILESCC(C)(C)C1CCC2(CC1)CC(CN)CO2
InChIInChI=1S/C14H27NO/c1-13(2,3)12-4-6-14(7-5-12)8-11(9-15)10-16-14/h11-12H,4-10,15H2,1-3H3
InChIKeyUMZFCTVEDXIAMZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.96
Rot. Bonds1

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

(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine (PubChem CID 19040151) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine.

Molecular Properties

Compound Name(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine
PubChem CID19040151
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine
SMILESCC(C)(C)C1CCC2(CC1)CC(CN)CO2
InChIInChI=1S/C14H27NO/c1-13(2,3)12-4-6-14(7-5-12)8-11(9-15)10-16-14/h11-12H,4-10,15H2,1-3H3
InChIKeyUMZFCTVEDXIAMZ-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
The IUPAC name of (8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine (CID 19040151) is (8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine.
What is the SMILES notation for (8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
The canonical SMILES for (8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine is CC(C)(C)C1CCC2(CC1)CC(CN)CO2.
What is the InChIKey of (8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
The InChIKey is UMZFCTVEDXIAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)12-4-6-14(7-5-12)8-11(9-15)10-16-14/h11-12H,4-10,15H2,1-3H3.
What are the key properties of (8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine?
(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine has a molecular weight of 225.38 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methanamine is sourced from PubChem (CID 19040151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).