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

C12H16N2 — CID 83669976

IUPAC6-benzyl-3,6-diazabicyclo[3.2.0]heptane
SMILESc1ccc(CN2CC3CNCC32)cc1
InChIInChI=1S/C12H16N2/c1-2-4-10(5-3-1)8-14-9-11-6-13-7-12(11)14/h1-5,11-13H,6-9H2
InChIKeyWXHTUKYZIRAUKQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.09
Rot. Bonds2

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

6-benzyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 83669976) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-benzyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-benzyl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID83669976
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-benzyl-3,6-diazabicyclo[3.2.0]heptane
SMILESc1ccc(CN2CC3CNCC32)cc1
InChIInChI=1S/C12H16N2/c1-2-4-10(5-3-1)8-14-9-11-6-13-7-12(11)14/h1-5,11-13H,6-9H2
InChIKeyWXHTUKYZIRAUKQ-UHFFFAOYSA-N
XLogP1.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 155248085
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473
(1R,4S,7S)-2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 129449904
2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 42614357
(1R,4R,5R)-2-benzyl-5-iodo-2-azabicyclo[2.1.1]hexane
CID 44519577
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 67234366
1-benzyl-2,5-dicyclohexylpiperazine
CID 64861335
1-benzyl-2-cyclopropyl-5-propylpiperazine
CID 64839373
N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine
CID 22238389
1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
4-methyl-5-[(4-phenylmethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 113242470

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 6-benzyl-3,6-diazabicyclo[3.2.0]heptane (CID 83669976) is 6-benzyl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-benzyl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 6-benzyl-3,6-diazabicyclo[3.2.0]heptane is c1ccc(CN2CC3CNCC32)cc1.
What is the InChIKey of 6-benzyl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is WXHTUKYZIRAUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-4-10(5-3-1)8-14-9-11-6-13-7-12(11)14/h1-5,11-13H,6-9H2.
What are the key properties of 6-benzyl-3,6-diazabicyclo[3.2.0]heptane?
6-benzyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 188.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 83669976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).