2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine

C17H29N3O — CID 45228668

IUPAC2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine
SMILESCc1ncc(CN2CCOC(CC3CCCCC3)C2)n1C
InChIInChI=1S/C17H29N3O/c1-14-18-11-16(19(14)2)12-20-8-9-21-17(13-20)10-15-6-4-3-5-7-15/h11,15,17H,3-10,12-13H2,1-2H3
InChIKeyQVKXDIQOIVXOAB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.90
Rot. Bonds4

About 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine

2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine (PubChem CID 45228668) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine
PubChem CID45228668
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine
SMILESCc1ncc(CN2CCOC(CC3CCCCC3)C2)n1C
InChIInChI=1S/C17H29N3O/c1-14-18-11-16(19(14)2)12-20-8-9-21-17(13-20)10-15-6-4-3-5-7-15/h11,15,17H,3-10,12-13H2,1-2H3
InChIKeyQVKXDIQOIVXOAB-UHFFFAOYSA-N
XLogP2.90
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 56877012
1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine
CID 31016417
9-[(1-isobutyl-1H-imidazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91832513
2-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-9-oxa-2-azaspiro[5.5]undecane
CID 91833468
2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
CID 95415455
2-[(4S)-2,2-dimethyloxan-4-yl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole
CID 95894779
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 98323777
1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 119109776
N-methyl-1-(1-methyl-1H-imidazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 129615880
(3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine
CID 164637295
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 171359472

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine?
The IUPAC name of 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine (CID 45228668) is 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine is Cc1ncc(CN2CCOC(CC3CCCCC3)C2)n1C.
What is the InChIKey of 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine?
The InChIKey is QVKXDIQOIVXOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-18-11-16(19(14)2)12-20-8-9-21-17(13-20)10-15-6-4-3-5-7-15/h11,15,17H,3-10,12-13H2,1-2H3.
What are the key properties of 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine?
2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine has a molecular weight of 291.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-[(2,3-dimethylimidazol-4-yl)methyl]morpholine is sourced from PubChem (CID 45228668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).