2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine

C18H31N3O2 — CID 56875828

IUPAC2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
SMILESCOCCn1cncc1CN1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C18H31N3O2/c1-22-9-8-21-15-19-12-17(21)13-20-7-10-23-18(14-20)11-16-5-3-2-4-6-16/h12,15-16,18H,2-11,13-14H2,1H3
InChIKeyKTQJRIOCHSLBHU-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.70
Rot. Bonds7

About 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine

2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine (PubChem CID 56875828) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
PubChem CID56875828
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
SMILESCOCCn1cncc1CN1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C18H31N3O2/c1-22-9-8-21-15-19-12-17(21)13-20-7-10-23-18(14-20)11-16-5-3-2-4-6-16/h12,15-16,18H,2-11,13-14H2,1H3
InChIKeyKTQJRIOCHSLBHU-UHFFFAOYSA-N
XLogP2.70
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
N-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-2-yl)ethanamine
CID 45192106
1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-methoxypiperidine
CID 45225709
1-(Cyclohexylmethyl)-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methoxy]piperidine
CID 124039659

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine?
The IUPAC name of 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine (CID 56875828) is 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine?
The canonical SMILES for 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine is COCCn1cncc1CN1CCOC(CC2CCCCC2)C1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine?
The InChIKey is KTQJRIOCHSLBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-22-9-8-21-15-19-12-17(21)13-20-7-10-23-18(14-20)11-16-5-3-2-4-6-16/h12,15-16,18H,2-11,13-14H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine?
2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine has a molecular weight of 321.47 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine is sourced from PubChem (CID 56875828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).