(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C13H22N2 — CID 71031724

IUPAC(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CN2C1CC2CCC1C2
InChIInChI=1S/C13H22N2/c1-14-7-12-6-11(14)8-15(12)13-5-9-2-3-10(13)4-9/h9-13H,2-8H2,1H3/t9?,10?,11-,12-,13?/m0/s1
InChIKeyZSMJCMNSAOZATQ-DNDUJMJNSA-N
MW206.33 g/mol
LogP1.56
Rot. Bonds1

About (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 71031724) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID71031724
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CN2C1CC2CCC1C2
InChIInChI=1S/C13H22N2/c1-14-7-12-6-11(14)8-15(12)13-5-9-2-3-10(13)4-9/h9-13H,2-8H2,1H3/t9?,10?,11-,12-,13?/m0/s1
InChIKeyZSMJCMNSAOZATQ-DNDUJMJNSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 71031724) is (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is CN1C[C@@H]2C[C@H]1CN2C1CC2CCC1C2.
What is the InChIKey of (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is ZSMJCMNSAOZATQ-DNDUJMJNSA-N. The full InChI is InChI=1S/C13H22N2/c1-14-7-12-6-11(14)8-15(12)13-5-9-2-3-10(13)4-9/h9-13H,2-8H2,1H3/t9?,10?,11-,12-,13?/m0/s1.
What are the key properties of (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 206.33 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 (1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 71031724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).