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

C17H29N3O — CID 75367192

IUPAC(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine
SMILESCC(C)(C)c1cnc([C@@H]2COCCN2C2CCCCC2)[nH]1
InChIInChI=1S/C17H29N3O/c1-17(2,3)15-11-18-16(19-15)14-12-21-10-9-20(14)13-7-5-4-6-8-13/h11,13-14H,4-10,12H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyKOZPBEUUMZFAJS-AWEZNQCLSA-N
MW291.44 g/mol
LogP3.41
Rot. Bonds2

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

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine (PubChem CID 75367192) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine.

Molecular Properties

Compound Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine
PubChem CID75367192
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine
SMILESCC(C)(C)c1cnc([C@@H]2COCCN2C2CCCCC2)[nH]1
InChIInChI=1S/C17H29N3O/c1-17(2,3)15-11-18-16(19-15)14-12-21-10-9-20(14)13-7-5-4-6-8-13/h11,13-14H,4-10,12H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyKOZPBEUUMZFAJS-AWEZNQCLSA-N
XLogP3.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
CID 71694279
1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone
CID 71694281
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(oxan-4-yl)morpholine
CID 71694283
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine
CID 71694291
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclobutylmorpholine
CID 71694297
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine
CID 75367195
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
CID 75536200
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(cyclopropylmethyl)morpholine
CID 71694286
2-(methoxymethyl)-5-(1-methylcyclopentyl)-1H-imidazole
CID 20361615
2-(methoxymethyl)-5-(1-methylcyclohexyl)-1H-imidazole
CID 20361668
1-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 57632905
1-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 67954528

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine?
The IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine (CID 75367192) is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine.
What is the SMILES notation for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine?
The canonical SMILES for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine is CC(C)(C)c1cnc([C@@H]2COCCN2C2CCCCC2)[nH]1.
What is the InChIKey of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine?
The InChIKey is KOZPBEUUMZFAJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)15-11-18-16(19-15)14-12-21-10-9-20(14)13-7-5-4-6-8-13/h11,13-14H,4-10,12H2,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine?
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine has a molecular weight of 291.44 g/mol, XLogP of 3.41, 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-cyclohexylmorpholine is sourced from PubChem (CID 75367192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).