3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine

C12H21N3O — CID 116881149

IUPAC3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine
SMILESCC(C)(C)c1cnc(CC2COCCN2)[nH]1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10-7-14-11(15-10)6-9-8-16-5-4-13-9/h7,9,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyCTYWUUIRSSKTTC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.24
Rot. Bonds2

About 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine

3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine (PubChem CID 116881149) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine
PubChem CID116881149
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine
SMILESCC(C)(C)c1cnc(CC2COCCN2)[nH]1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10-7-14-11(15-10)6-9-8-16-5-4-13-9/h7,9,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyCTYWUUIRSSKTTC-UHFFFAOYSA-N
XLogP1.24
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine
CID 116881161
3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine
CID 116881165
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
CID 116890422
3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
CID 116927963
3-[(4-methylsulfonyl-1H-benzimidazol-2-yl)methyl]morpholine
CID 82007596
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
CID 75536200
3-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 165375298
3-[(5-methylfuran-2-yl)methyl]morpholine
CID 116927979
2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 115041060
3-(2-methylpropyl)morpholine
CID 20811826
4-(morpholin-3-ylmethyl)pyrimidin-2-amine
CID 83847459
3-[(2-methylpropan-2-yl)oxymethyl]morpholine
CID 58365003

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine?
The IUPAC name of 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine (CID 116881149) is 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine?
The canonical SMILES for 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine is CC(C)(C)c1cnc(CC2COCCN2)[nH]1.
What is the InChIKey of 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine?
The InChIKey is CTYWUUIRSSKTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)10-7-14-11(15-10)6-9-8-16-5-4-13-9/h7,9,13H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine?
3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 116881149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).