3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane

C19H22N2 — CID 134073287

IUPAC3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
SMILESc1ccc(CN2CC3CN(Cc4ccccc4)C3C2)cc1
InChIInChI=1S/C19H22N2/c1-3-7-16(8-4-1)11-20-13-18-14-21(19(18)15-20)12-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyDRQFTHPKYZUHKT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.00
Rot. Bonds4

About 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane

3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 134073287) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID134073287
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
SMILESc1ccc(CN2CC3CN(Cc4ccccc4)C3C2)cc1
InChIInChI=1S/C19H22N2/c1-3-7-16(8-4-1)11-20-13-18-14-21(19(18)15-20)12-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyDRQFTHPKYZUHKT-UHFFFAOYSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 42614357
(1R,4S,7S)-2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 129449904
(3aS,6aR)-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-2-ium
CID 51614151
6-benzyl-3,6-diazabicyclo[3.2.0]heptane
CID 83669976
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473
(1R,4R,5R)-2-benzyl-5-iodo-2-azabicyclo[2.1.1]hexane
CID 44519577
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 67234366
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
6-benzyl-1-sulfanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 126566036

Frequently Asked Questions

What is the IUPAC name of 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane (CID 134073287) is 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane is c1ccc(CN2CC3CN(Cc4ccccc4)C3C2)cc1.
What is the InChIKey of 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is DRQFTHPKYZUHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-7-16(8-4-1)11-20-13-18-14-21(19(18)15-20)12-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2.
What are the key properties of 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane?
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 278.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 134073287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).