4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine

C14H25N3O — CID 45220940

IUPAC4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine
SMILESCC(C)CCCC1CN(Cc2ncc[nH]2)CCO1
InChIInChI=1S/C14H25N3O/c1-12(2)4-3-5-13-10-17(8-9-18-13)11-14-15-6-7-16-14/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,15,16)
InChIKeyAIIWBNDHIJAURF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.44
Rot. Bonds6

About 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine

4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine (PubChem CID 45220940) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine
PubChem CID45220940
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine
SMILESCC(C)CCCC1CN(Cc2ncc[nH]2)CCO1
InChIInChI=1S/C14H25N3O/c1-12(2)4-3-5-13-10-17(8-9-18-13)11-14-15-6-7-16-14/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,15,16)
InChIKeyAIIWBNDHIJAURF-UHFFFAOYSA-N
XLogP2.44
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine
CID 31016417
4-{1-[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl]ethyl}morpholine
CID 70771790
[(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)methyl]methylamine dihydrochloride
CID 74247070
(3S)-4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
CID 95120212
N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine
CID 146245938
3-[2-[[1-(Difluoromethyl)imidazol-2-yl]methoxy]ethyl]piperidine
CID 113895238
3-[2-Fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine
CID 114533144
3-[3-(1-Ethylimidazol-2-yl)-2-fluoro-2-methylpropyl]morpholine
CID 116011148
3-[2-Fluoro-2-methyl-3-(1-methylimidazol-2-yl)propyl]morpholine
CID 116011257
3-[2-Fluoro-2-methyl-3-(1-propylimidazol-2-yl)propyl]morpholine
CID 116011323
2-(Cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 45191713
4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
CID 50949621

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine?
The IUPAC name of 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine (CID 45220940) is 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine?
The canonical SMILES for 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine is CC(C)CCCC1CN(Cc2ncc[nH]2)CCO1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine?
The InChIKey is AIIWBNDHIJAURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)4-3-5-13-10-17(8-9-18-13)11-14-15-6-7-16-14/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,15,16).
What are the key properties of 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine?
4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine has a molecular weight of 251.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine is sourced from PubChem (CID 45220940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).