(1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane

C11H20N2 — CID 89202936

IUPAC(1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane
SMILESC1CCC(N2C[C@H]3C[C@@H]2CN3)CC1
InChIInChI=1S/C11H20N2/c1-2-4-10(5-3-1)13-8-9-6-11(13)7-12-9/h9-12H,1-8H2/t9-,11-/m1/s1
InChIKeyNXQVEEJOPBAEFX-MWLCHTKSSA-N
MW180.29 g/mol
LogP1.37
Rot. Bonds1

About (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 89202936) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID89202936
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane
SMILESC1CCC(N2C[C@H]3C[C@@H]2CN3)CC1
InChIInChI=1S/C11H20N2/c1-2-4-10(5-3-1)13-8-9-6-11(13)7-12-9/h9-12H,1-8H2/t9-,11-/m1/s1
InChIKeyNXQVEEJOPBAEFX-MWLCHTKSSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane (CID 89202936) is (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane is C1CCC(N2C[C@H]3C[C@@H]2CN3)CC1.
What is the InChIKey of (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is NXQVEEJOPBAEFX-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-4-10(5-3-1)13-8-9-6-11(13)7-12-9/h9-12H,1-8H2/t9-,11-/m1/s1.
What are the key properties of (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 180.29 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 89202936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).