4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine

C15H25NO2 — CID 71036342

IUPAC4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine
SMILESCC1C=C(OC(C)C)C(CN2CCOCC2)=CC1
InChIInChI=1S/C15H25NO2/c1-12(2)18-15-10-13(3)4-5-14(15)11-16-6-8-17-9-7-16/h5,10,12-13H,4,6-9,11H2,1-3H3
InChIKeyOYMWPQGPJBBMPG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.59
Rot. Bonds4

About 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine

4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine (PubChem CID 71036342) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine
PubChem CID71036342
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine
SMILESCC1C=C(OC(C)C)C(CN2CCOCC2)=CC1
InChIInChI=1S/C15H25NO2/c1-12(2)18-15-10-13(3)4-5-14(15)11-16-6-8-17-9-7-16/h5,10,12-13H,4,6-9,11H2,1-3H3
InChIKeyOYMWPQGPJBBMPG-UHFFFAOYSA-N
XLogP2.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine (CID 71036342) is 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine is CC1C=C(OC(C)C)C(CN2CCOCC2)=CC1.
What is the InChIKey of 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine?
The InChIKey is OYMWPQGPJBBMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)18-15-10-13(3)4-5-14(15)11-16-6-8-17-9-7-16/h5,10,12-13H,4,6-9,11H2,1-3H3.
What are the key properties of 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine?
4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine has a molecular weight of 251.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 71036342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).