3-benzyl-3-azabicyclo[3.2.0]heptane

C13H17N — CID 70581599

IUPAC3-benzyl-3-azabicyclo[3.2.0]heptane
SMILESc1ccc(CN2CC3CCC3C2)cc1
InChIInChI=1S/C13H17N/c1-2-4-11(5-3-1)8-14-9-12-6-7-13(12)10-14/h1-5,12-13H,6-10H2
InChIKeyOANMINBHVRSOND-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.53
Rot. Bonds2

About 3-benzyl-3-azabicyclo[3.2.0]heptane

3-benzyl-3-azabicyclo[3.2.0]heptane (PubChem CID 70581599) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-benzyl-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-benzyl-3-azabicyclo[3.2.0]heptane
PubChem CID70581599
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-benzyl-3-azabicyclo[3.2.0]heptane
SMILESc1ccc(CN2CC3CCC3C2)cc1
InChIInChI=1S/C13H17N/c1-2-4-11(5-3-1)8-14-9-12-6-7-13(12)10-14/h1-5,12-13H,6-10H2
InChIKeyOANMINBHVRSOND-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
(3aS,6aR)-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-2-ium
CID 51614151
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
2-benzyl-1,3,3a,4,6,7,8,8a-octahydropyrrolo[3,4-d]azepin-5-one
CID 58266913
2-benzyl-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;dihydrochloride
CID 126845066
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 3-benzyl-3-azabicyclo[3.2.0]heptane (CID 70581599) is 3-benzyl-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 3-benzyl-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 3-benzyl-3-azabicyclo[3.2.0]heptane is c1ccc(CN2CC3CCC3C2)cc1.
What is the InChIKey of 3-benzyl-3-azabicyclo[3.2.0]heptane?
The InChIKey is OANMINBHVRSOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-4-11(5-3-1)8-14-9-12-6-7-13(12)10-14/h1-5,12-13H,6-10H2.
What are the key properties of 3-benzyl-3-azabicyclo[3.2.0]heptane?
3-benzyl-3-azabicyclo[3.2.0]heptane has a molecular weight of 187.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 70581599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).