4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine

C18H24N2O — CID 46184784

IUPAC4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine
SMILESC(#CC(C1CCCCC1)N1CCOCC1)c1ccccn1
InChIInChI=1S/C18H24N2O/c1-2-6-16(7-3-1)18(20-12-14-21-15-13-20)10-9-17-8-4-5-11-19-17/h4-5,8,11,16,18H,1-3,6-7,12-15H2
InChIKeyODARAEHKLPYKKU-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds2

About 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine

4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine (PubChem CID 46184784) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine
PubChem CID46184784
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine
SMILESC(#CC(C1CCCCC1)N1CCOCC1)c1ccccn1
InChIInChI=1S/C18H24N2O/c1-2-6-16(7-3-1)18(20-12-14-21-15-13-20)10-9-17-8-4-5-11-19-17/h4-5,8,11,16,18H,1-3,6-7,12-15H2
InChIKeyODARAEHKLPYKKU-UHFFFAOYSA-N
XLogP2.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine?
The IUPAC name of 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine (CID 46184784) is 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine.
What is the SMILES notation for 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine?
The canonical SMILES for 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine is C(#CC(C1CCCCC1)N1CCOCC1)c1ccccn1.
What is the InChIKey of 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine?
The InChIKey is ODARAEHKLPYKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-6-16(7-3-1)18(20-12-14-21-15-13-20)10-9-17-8-4-5-11-19-17/h4-5,8,11,16,18H,1-3,6-7,12-15H2.
What are the key properties of 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine?
4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine has a molecular weight of 284.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine is sourced from PubChem (CID 46184784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).