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

C11H22N2 — CID 90440153

IUPAC(1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C[C@H]2CC[C@@H](C1)N2C(C)(C)C
InChIInChI=1S/C11H22N2/c1-11(2,3)13-9-5-6-10(13)8-12(4)7-9/h9-10H,5-8H2,1-4H3/t9-,10+
InChIKeyAAMFCWYVZAHJIF-AOOOYVTPSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds

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

(1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 90440153) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID90440153
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C[C@H]2CC[C@@H](C1)N2C(C)(C)C
InChIInChI=1S/C11H22N2/c1-11(2,3)13-9-5-6-10(13)8-12(4)7-9/h9-10H,5-8H2,1-4H3/t9-,10+
InChIKeyAAMFCWYVZAHJIF-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 (1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane (CID 90440153) is (1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane is CN1C[C@H]2CC[C@@H](C1)N2C(C)(C)C.
What is the InChIKey of (1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is AAMFCWYVZAHJIF-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)13-9-5-6-10(13)8-12(4)7-9/h9-10H,5-8H2,1-4H3/t9-,10+.
What are the key properties of (1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
(1R,5S)-8-tert-butyl-3-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 (1R,5S)-8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 90440153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).