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

C14H25N3O — CID 75367195

IUPAC(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC[C@H]1c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C14H25N3O/c1-10(2)17-6-7-18-9-11(17)13-15-8-12(16-13)14(3,4)5/h8,10-11H,6-7,9H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyVZXPXZONJJWXEC-NSHDSACASA-N
MW251.37 g/mol
LogP2.49
Rot. Bonds2

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

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine (PubChem CID 75367195) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine
PubChem CID75367195
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC[C@H]1c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C14H25N3O/c1-10(2)17-6-7-18-9-11(17)13-15-8-12(16-13)14(3,4)5/h8,10-11H,6-7,9H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyVZXPXZONJJWXEC-NSHDSACASA-N
XLogP2.49
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.49
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-propan-2-ylmorpholine?
The IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine (CID 75367195) is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine.
What is the SMILES notation for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine?
The canonical SMILES for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine is CC(C)N1CCOC[C@H]1c1ncc(C(C)(C)C)[nH]1.
What is the InChIKey of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine?
The InChIKey is VZXPXZONJJWXEC-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)17-6-7-18-9-11(17)13-15-8-12(16-13)14(3,4)5/h8,10-11H,6-7,9H2,1-5H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine?
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine has a molecular weight of 251.37 g/mol, XLogP of 2.49, 2 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-propan-2-ylmorpholine is sourced from PubChem (CID 75367195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).