1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C11H22N2 — CID 88983726

IUPAC1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1(C)C(C)N2C
InChIInChI=1S/C11H22N2/c1-8(2)13-7-10-6-11(13,4)9(3)12(10)5/h8-10H,6-7H2,1-5H3
InChIKeyVPRFBYWDTCZKTK-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds1

About 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 88983726) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID88983726
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1(C)C(C)N2C
InChIInChI=1S/C11H22N2/c1-8(2)13-7-10-6-11(13,4)9(3)12(10)5/h8-10H,6-7H2,1-5H3
InChIKeyVPRFBYWDTCZKTK-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 88983726) is 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CC2CC1(C)C(C)N2C.
What is the InChIKey of 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is VPRFBYWDTCZKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)13-7-10-6-11(13,4)9(3)12(10)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 182.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 88983726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).