(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane

C15H27N3 — CID 149109413

IUPAC(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1C[C@@]2(CC3=NCCN3C)CC2N1C(C)(C)C
InChIInChI=1S/C15H27N3/c1-11-8-15(10-13-16-6-7-17(13)5)9-12(15)18(11)14(2,3)4/h11-12H,6-10H2,1-5H3/t11-,12?,15+/m1/s1
InChIKeyQWMJWAZORMRFFI-YOMIOTDVSA-N
MW249.40 g/mol
LogP2.37
Rot. Bonds2

About (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane

(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane (PubChem CID 149109413) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane
PubChem CID149109413
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane
SMILESC[C@@H]1C[C@@]2(CC3=NCCN3C)CC2N1C(C)(C)C
InChIInChI=1S/C15H27N3/c1-11-8-15(10-13-16-6-7-17(13)5)9-12(15)18(11)14(2,3)4/h11-12H,6-10H2,1-5H3/t11-,12?,15+/m1/s1
InChIKeyQWMJWAZORMRFFI-YOMIOTDVSA-N
XLogP2.37
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane (CID 149109413) is (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane is C[C@@H]1C[C@@]2(CC3=NCCN3C)CC2N1C(C)(C)C.
What is the InChIKey of (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane?
The InChIKey is QWMJWAZORMRFFI-YOMIOTDVSA-N. The full InChI is InChI=1S/C15H27N3/c1-11-8-15(10-13-16-6-7-17(13)5)9-12(15)18(11)14(2,3)4/h11-12H,6-10H2,1-5H3/t11-,12?,15+/m1/s1.
What are the key properties of (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane?
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane has a molecular weight of 249.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 149109413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).