(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane

C13H17N — CID 70451157

IUPAC(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane
SMILESCCN1C[C@@H]2C(c3ccccc3)[C@@H]2C1
InChIInChI=1S/C13H17N/c1-2-14-8-11-12(9-14)13(11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-,12+,13?
InChIKeyFCNNGYGSAZPKOX-FUNVUKJBSA-N
MW187.29 g/mol
LogP2.35
Rot. Bonds2

About (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane

(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane (PubChem CID 70451157) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane
PubChem CID70451157
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane
SMILESCCN1C[C@@H]2C(c3ccccc3)[C@@H]2C1
InChIInChI=1S/C13H17N/c1-2-14-8-11-12(9-14)13(11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-,12+,13?
InChIKeyFCNNGYGSAZPKOX-FUNVUKJBSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1S,5R)-3-benzyl-6-(3-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane
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CID 83999040
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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane (CID 70451157) is (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane is CCN1C[C@@H]2C(c3ccccc3)[C@@H]2C1.
What is the InChIKey of (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is FCNNGYGSAZPKOX-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H17N/c1-2-14-8-11-12(9-14)13(11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-,12+,13?.
What are the key properties of (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane?
(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 187.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 70451157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).