8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C14H27NO — CID 58959487

IUPAC8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C14H27NO/c1-10(2)14(16)8-11-6-7-12(9-14)15(11)13(3,4)5/h10-12,16H,6-9H2,1-5H3
InChIKeyWCAXPGIXNFFYTG-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds1

About 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 58959487) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID58959487
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C14H27NO/c1-10(2)14(16)8-11-6-7-12(9-14)15(11)13(3,4)5/h10-12,16H,6-9H2,1-5H3
InChIKeyWCAXPGIXNFFYTG-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 58959487) is 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)C1(O)CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WCAXPGIXNFFYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)14(16)8-11-6-7-12(9-14)15(11)13(3,4)5/h10-12,16H,6-9H2,1-5H3.
What are the key properties of 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 58959487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).