(1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane

C11H22N2 — CID 118531429

IUPAC(1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CN(C(C)(C)C)C2
InChIInChI=1S/C11H22N2/c1-11(2,3)13-7-9-5-6-10(8-13)12(9)4/h9-10H,5-8H2,1-4H3/t9-,10+
InChIKeyKMFHTUFMIGSSCO-AOOOYVTPSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds

About (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane

(1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 118531429) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID118531429
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CN(C(C)(C)C)C2
InChIInChI=1S/C11H22N2/c1-11(2,3)13-7-9-5-6-10(8-13)12(9)4/h9-10H,5-8H2,1-4H3/t9-,10+
InChIKeyKMFHTUFMIGSSCO-AOOOYVTPSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 118531429) is (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane is CN1[C@@H]2CC[C@H]1CN(C(C)(C)C)C2.
What is the InChIKey of (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is KMFHTUFMIGSSCO-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)13-7-9-5-6-10(8-13)12(9)4/h9-10H,5-8H2,1-4H3/t9-,10+.
What are the key properties of (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane?
(1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 182.31 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 118531429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).