2-(3-pentan-3-ylimidazol-4-yl)morpholine

C12H21N3O — CID 114717268

IUPAC2-(3-pentan-3-ylimidazol-4-yl)morpholine
SMILESCCC(CC)n1cncc1C1CNCCO1
InChIInChI=1S/C12H21N3O/c1-3-10(4-2)15-9-14-7-11(15)12-8-13-5-6-16-12/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyHKKKMAHGKQSUPM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.91
Rot. Bonds4

About 2-(3-pentan-3-ylimidazol-4-yl)morpholine

2-(3-pentan-3-ylimidazol-4-yl)morpholine (PubChem CID 114717268) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-pentan-3-ylimidazol-4-yl)morpholine.

Molecular Properties

Compound Name2-(3-pentan-3-ylimidazol-4-yl)morpholine
PubChem CID114717268
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(3-pentan-3-ylimidazol-4-yl)morpholine
SMILESCCC(CC)n1cncc1C1CNCCO1
InChIInChI=1S/C12H21N3O/c1-3-10(4-2)15-9-14-7-11(15)12-8-13-5-6-16-12/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyHKKKMAHGKQSUPM-UHFFFAOYSA-N
XLogP1.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
CID 114716077
2-(3-heptan-2-ylimidazol-4-yl)morpholine
CID 114719560
2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
CID 114719268
2-[3-(3-methylpentan-3-yl)imidazol-4-yl]morpholine
CID 106329949
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
CID 103466943
2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine
CID 114717855
2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine
CID 114718480
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
2-[3-[(1-ethylcyclobutyl)methyl]imidazol-4-yl]morpholine
CID 114109907
N,N-diethyl-2-(5-morpholin-2-ylimidazol-1-yl)acetamide
CID 114721947

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentan-3-ylimidazol-4-yl)morpholine?
The IUPAC name of 2-(3-pentan-3-ylimidazol-4-yl)morpholine (CID 114717268) is 2-(3-pentan-3-ylimidazol-4-yl)morpholine.
What is the SMILES notation for 2-(3-pentan-3-ylimidazol-4-yl)morpholine?
The canonical SMILES for 2-(3-pentan-3-ylimidazol-4-yl)morpholine is CCC(CC)n1cncc1C1CNCCO1.
What is the InChIKey of 2-(3-pentan-3-ylimidazol-4-yl)morpholine?
The InChIKey is HKKKMAHGKQSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-10(4-2)15-9-14-7-11(15)12-8-13-5-6-16-12/h7,9-10,12-13H,3-6,8H2,1-2H3.
What are the key properties of 2-(3-pentan-3-ylimidazol-4-yl)morpholine?
2-(3-pentan-3-ylimidazol-4-yl)morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentan-3-ylimidazol-4-yl)morpholine is sourced from PubChem (CID 114717268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).