2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine

C16H27N3O — CID 45191713

IUPAC2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCn1ccnc1CN1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C16H27N3O/c1-18-8-7-17-16(18)13-19-9-10-20-15(12-19)11-14-5-3-2-4-6-14/h7-8,14-15H,2-6,9-13H2,1H3
InChIKeyGMFOSYREYSLMDK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.59
Rot. Bonds4

About 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine

2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine (PubChem CID 45191713) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
PubChem CID45191713
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
SMILESCn1ccnc1CN1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C16H27N3O/c1-18-8-7-17-16(18)13-19-9-10-20-15(12-19)11-14-5-3-2-4-6-14/h7-8,14-15H,2-6,9-13H2,1H3
InChIKeyGMFOSYREYSLMDK-UHFFFAOYSA-N
XLogP2.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazolium, 1-((1-cyclohexylethoxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
CID 135705417
2-(Cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 56877012
4-{2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]ethyl}morpholine
CID 70756829
2-Ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane
CID 97451228
7-[(1-Methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
CID 97451248
2-[(1-Methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 118746912
3-[(2S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-2-yl]propanenitrile
CID 60160421
Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
9-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
CID 71915805
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 77096923
9-[[1-(2,2-Difluoropropyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
CID 167279857

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The IUPAC name of 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine (CID 45191713) is 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine is Cn1ccnc1CN1CCOC(CC2CCCCC2)C1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine?
The InChIKey is GMFOSYREYSLMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18-8-7-17-16(18)13-19-9-10-20-15(12-19)11-14-5-3-2-4-6-14/h7-8,14-15H,2-6,9-13H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine?
2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 45191713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).