(1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C14H27N — CID 58959472

IUPAC(1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(C)(C)C)C1
InChIInChI=1S/C14H27N/c1-12(2,3)15-10-14(6)8-11(15)7-13(4,5)9-14/h11H,7-10H2,1-6H3/t11-,14-/m1/s1
InChIKeyRSGJISCJQJLOKA-BXUZGUMPSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds

About (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

(1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 58959472) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
PubChem CID58959472
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(C)(C)C)C1
InChIInChI=1S/C14H27N/c1-12(2,3)15-10-14(6)8-11(15)7-13(4,5)9-14/h11H,7-10H2,1-6H3/t11-,14-/m1/s1
InChIKeyRSGJISCJQJLOKA-BXUZGUMPSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (CID 58959472) is (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is CC1(C)C[C@@H]2C[C@@](C)(CN2C(C)(C)C)C1.
What is the InChIKey of (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is RSGJISCJQJLOKA-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2,3)15-10-14(6)8-11(15)7-13(4,5)9-14/h11H,7-10H2,1-6H3/t11-,14-/m1/s1.
What are the key properties of (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
(1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 209.38 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-tert-butyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58959472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).