2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

C11H22N2 — CID 66615288

IUPAC2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCCC(C)(C)N1CC2CC1CN2C
InChIInChI=1S/C11H22N2/c1-5-11(2,3)13-8-9-6-10(13)7-12(9)4/h9-10H,5-8H2,1-4H3
InChIKeyCJACHGJAXLKSFM-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds2

About 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 66615288) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID66615288
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCCC(C)(C)N1CC2CC1CN2C
InChIInChI=1S/C11H22N2/c1-5-11(2,3)13-8-9-6-10(13)7-12(9)4/h9-10H,5-8H2,1-4H3
InChIKeyCJACHGJAXLKSFM-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 66615288) is 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is CCC(C)(C)N1CC2CC1CN2C.
What is the InChIKey of 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is CJACHGJAXLKSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-11(2,3)13-8-9-6-10(13)7-12(9)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 182.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 66615288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).