(1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane

C10H19N — CID 71566800

IUPAC(1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1(C)C[C@]2(C)CCC[C@H]1N2
InChIInChI=1S/C10H19N/c1-9(2)7-10(3)6-4-5-8(9)11-10/h8,11H,4-7H2,1-3H3/t8-,10+/m1/s1
InChIKeyBRELIEWOEKUHHR-SCZZXKLOSA-N
MW153.27 g/mol
LogP2.32
Rot. Bonds

About (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane

(1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 71566800) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane
PubChem CID71566800
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1(C)C[C@]2(C)CCC[C@H]1N2
InChIInChI=1S/C10H19N/c1-9(2)7-10(3)6-4-5-8(9)11-10/h8,11H,4-7H2,1-3H3/t8-,10+/m1/s1
InChIKeyBRELIEWOEKUHHR-SCZZXKLOSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane (CID 71566800) is (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane is CC1(C)C[C@]2(C)CCC[C@H]1N2.
What is the InChIKey of (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is BRELIEWOEKUHHR-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)7-10(3)6-4-5-8(9)11-10/h8,11H,4-7H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 153.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,6,6-trimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 71566800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).