(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine

C12H21N3O — CID 75536200

IUPAC(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
SMILESCN1CCOC[C@H]1c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10-7-13-11(14-10)9-8-16-6-5-15(9)4/h7,9H,5-6,8H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyFISDVPVNJWWWDU-VIFPVBQESA-N
MW223.32 g/mol
LogP1.71
Rot. Bonds1

About (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine (PubChem CID 75536200) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine.

Molecular Properties

Compound Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
PubChem CID75536200
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
SMILESCN1CCOC[C@H]1c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10-7-13-11(14-10)9-8-16-6-5-15(9)4/h7,9H,5-6,8H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyFISDVPVNJWWWDU-VIFPVBQESA-N
XLogP1.71
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine?
The IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine (CID 75536200) is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine.
What is the SMILES notation for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine?
The canonical SMILES for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine is CN1CCOC[C@H]1c1ncc(C(C)(C)C)[nH]1.
What is the InChIKey of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine?
The InChIKey is FISDVPVNJWWWDU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)10-7-13-11(14-10)9-8-16-6-5-15(9)4/h7,9H,5-6,8H2,1-4H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine?
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine has a molecular weight of 223.32 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine is sourced from PubChem (CID 75536200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).