2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine

C13H23N3O — CID 103466943

IUPAC2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
SMILESCCC(C)(C)Cn1cncc1C1CNCCO1
InChIInChI=1S/C13H23N3O/c1-4-13(2,3)9-16-10-15-7-11(16)12-8-14-5-6-17-12/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyHXIDJSJOMIZYHU-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds4

About 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine

2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine (PubChem CID 103466943) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
PubChem CID103466943
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
SMILESCCC(C)(C)Cn1cncc1C1CNCCO1
InChIInChI=1S/C13H23N3O/c1-4-13(2,3)9-16-10-15-7-11(16)12-8-14-5-6-17-12/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyHXIDJSJOMIZYHU-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methylpentan-3-yl)imidazol-4-yl]morpholine
CID 106329949
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
N,N-diethyl-2-(5-morpholin-2-ylimidazol-1-yl)acetamide
CID 114721947
2-[3-[(1-ethylcyclobutyl)methyl]imidazol-4-yl]morpholine
CID 114109907
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268
N-tert-butyl-3-(5-morpholin-2-ylimidazol-1-yl)propanamide
CID 114721907
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-(3-but-3-ynylimidazol-4-yl)morpholine
CID 114720452
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
2-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]morpholine
CID 114718670
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine
CID 114716555
2-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114958077

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine (CID 103466943) is 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine is CCC(C)(C)Cn1cncc1C1CNCCO1.
What is the InChIKey of 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine?
The InChIKey is HXIDJSJOMIZYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(2,3)9-16-10-15-7-11(16)12-8-14-5-6-17-12/h7,10,12,14H,4-6,8-9H2,1-3H3.
What are the key properties of 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine?
2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 103466943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).