4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine

C14H22N2O — CID 123623384

IUPAC4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine
SMILESCC(C)=C1C=CC(CN2CCOCC2)=CN1C
InChIInChI=1S/C14H22N2O/c1-12(2)14-5-4-13(10-15(14)3)11-16-6-8-17-9-7-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyMXATZSGOFAKYKA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.00
Rot. Bonds2

About 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine

4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine (PubChem CID 123623384) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine
PubChem CID123623384
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine
SMILESCC(C)=C1C=CC(CN2CCOCC2)=CN1C
InChIInChI=1S/C14H22N2O/c1-12(2)14-5-4-13(10-15(14)3)11-16-6-8-17-9-7-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyMXATZSGOFAKYKA-UHFFFAOYSA-N
XLogP2.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine?
The IUPAC name of 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine (CID 123623384) is 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine.
What is the SMILES notation for 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine?
The canonical SMILES for 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine is CC(C)=C1C=CC(CN2CCOCC2)=CN1C.
What is the InChIKey of 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine?
The InChIKey is MXATZSGOFAKYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(2)14-5-4-13(10-15(14)3)11-16-6-8-17-9-7-16/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine?
4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine has a molecular weight of 234.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-propan-2-ylidene-3-pyridinyl)methyl]morpholine is sourced from PubChem (CID 123623384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).