(1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane

C10H20N2 — CID 139364543

IUPAC(1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCN1C[C@@H]2CN(C(C)(C)C)[C@@H]2C1
InChIInChI=1S/C10H20N2/c1-10(2,3)12-6-8-5-11(4)7-9(8)12/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyYLEGXOVHPMMITJ-RKDXNWHRSA-N
MW168.28 g/mol
LogP1.03
Rot. Bonds

About (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane

(1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 139364543) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID139364543
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCN1C[C@@H]2CN(C(C)(C)C)[C@@H]2C1
InChIInChI=1S/C10H20N2/c1-10(2,3)12-6-8-5-11(4)7-9(8)12/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyYLEGXOVHPMMITJ-RKDXNWHRSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane (CID 139364543) is (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane is CN1C[C@@H]2CN(C(C)(C)C)[C@@H]2C1.
What is the InChIKey of (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is YLEGXOVHPMMITJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2,3)12-6-8-5-11(4)7-9(8)12/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane?
(1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 168.28 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 139364543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).