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

C18H31N3O — CID 56877012

IUPAC2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1ccnc1CN1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C18H31N3O/c1-15(2)21-9-8-19-18(21)14-20-10-11-22-17(13-20)12-16-6-4-3-5-7-16/h8-9,15-17H,3-7,10-14H2,1-2H3
InChIKeyJGQDARHTWVBYMK-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.64
Rot. Bonds5

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

2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine (PubChem CID 56877012) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
PubChem CID56877012
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1ccnc1CN1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C18H31N3O/c1-15(2)21-9-8-19-18(21)14-20-10-11-22-17(13-20)12-16-6-4-3-5-7-16/h8-9,15-17H,3-7,10-14H2,1-2H3
InChIKeyJGQDARHTWVBYMK-UHFFFAOYSA-N
XLogP3.64
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The IUPAC name of 2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine (CID 56877012) is 2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine is CC(C)n1ccnc1CN1CCOC(CC2CCCCC2)C1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The InChIKey is JGQDARHTWVBYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-15(2)21-9-8-19-18(21)14-20-10-11-22-17(13-20)12-16-6-4-3-5-7-16/h8-9,15-17H,3-7,10-14H2,1-2H3.
What are the key properties of 2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine?
2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine has a molecular weight of 305.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 56877012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).