(1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane

C13H19N3O — CID 163871761

IUPAC(1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1cn(C2[C@H]3CN(C4CCOCC4)C[C@@H]23)cn1
InChIInChI=1S/C13H19N3O/c1-5-17-6-2-10(1)16-7-11-12(8-16)13(11)15-4-3-14-9-15/h3-4,9-13H,1-2,5-8H2/t11-,12+,13?
InChIKeyPLKQEUVZMZQLTN-FUNVUKJBSA-N
MW233.31 g/mol
LogP1.16
Rot. Bonds2

About (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 163871761) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID163871761
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1cn(C2[C@H]3CN(C4CCOCC4)C[C@@H]23)cn1
InChIInChI=1S/C13H19N3O/c1-5-17-6-2-10(1)16-7-11-12(8-16)13(11)15-4-3-14-9-15/h3-4,9-13H,1-2,5-8H2/t11-,12+,13?
InChIKeyPLKQEUVZMZQLTN-FUNVUKJBSA-N
XLogP1.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-(tetrahydro-3-furanyl)ethyl]piperidine
CID 70740839
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72920454
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(tetrahydrofuran-3-ylmethyl)cyclopropanamine
CID 50963983
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 124616644
1-(Oxan-4-yl)imidazole
CID 63935098
4-[2-(1-Methylimidazol-2-yl)oxyethyl]-1-propan-2-ylpiperidine
CID 141130540
1-Butan-2-yl-4-[(1-methylimidazol-2-yl)oxymethyl]piperidine
CID 141130543
4-[(1-Methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine
CID 141130544
4-(Cyclopropylmethyl)-3-(imidazol-1-ylmethyl)morpholine
CID 141168862
2-(Cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole
CID 141174959
Propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 160701150
4-Deuterio-1-(oxan-4-yl)imidazole
CID 175933396

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane (CID 163871761) is (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane is c1cn(C2[C@H]3CN(C4CCOCC4)C[C@@H]23)cn1.
What is the InChIKey of (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is PLKQEUVZMZQLTN-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-17-6-2-10(1)16-7-11-12(8-16)13(11)15-4-3-14-9-15/h3-4,9-13H,1-2,5-8H2/t11-,12+,13?.
What are the key properties of (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 233.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-imidazol-1-yl-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 163871761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).