1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

C13H26N2 — CID 70644922

IUPAC1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1C2CN(C(C)C)C(C)(C2)C1C
InChIInChI=1S/C13H26N2/c1-9(2)14-8-12-7-13(14,6)11(5)15(12)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyPJUYKOHDAOXMQG-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.34
Rot. Bonds2

About 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 70644922) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID70644922
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1C2CN(C(C)C)C(C)(C2)C1C
InChIInChI=1S/C13H26N2/c1-9(2)14-8-12-7-13(14,6)11(5)15(12)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyPJUYKOHDAOXMQG-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 70644922) is 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1C2CN(C(C)C)C(C)(C2)C1C.
What is the InChIKey of 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is PJUYKOHDAOXMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-9(2)14-8-12-7-13(14,6)11(5)15(12)10(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 210.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 70644922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).