4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine

C12H21N3O — CID 117188539

IUPAC4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCc1cnc(CN2CCOCC2)n1C(C)C
InChIInChI=1S/C12H21N3O/c1-10(2)15-11(3)8-13-12(15)9-14-4-6-16-7-5-14/h8,10H,4-7,9H2,1-3H3
InChIKeyMZJKRFCWBANZKH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.60
Rot. Bonds3

About 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine

4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine (PubChem CID 117188539) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine
PubChem CID117188539
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCc1cnc(CN2CCOCC2)n1C(C)C
InChIInChI=1S/C12H21N3O/c1-10(2)15-11(3)8-13-12(15)9-14-4-6-16-7-5-14/h8,10H,4-7,9H2,1-3H3
InChIKeyMZJKRFCWBANZKH-UHFFFAOYSA-N
XLogP1.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117188541
4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117187554
4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine
CID 117216699
1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole
CID 117188506
4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184909
5-methyl-4-(morpholin-4-ylmethyl)pyrimidin-2-amine
CID 140974080
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424
4-[2-(5-methylimidazo[1,5-a]pyridin-3-yl)ethyl]morpholine
CID 117142372
4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine
CID 117192727
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 154737586
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
4-methyl-3-(1-morpholin-4-ylpropan-2-yl)-1H-imidazole-2-thione
CID 81335774

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine (CID 117188539) is 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine is Cc1cnc(CN2CCOCC2)n1C(C)C.
What is the InChIKey of 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The InChIKey is MZJKRFCWBANZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15-11(3)8-13-12(15)9-14-4-6-16-7-5-14/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 117188539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).