4-(1-oct-1-ynylcyclohexyl)morpholine

C18H31NO — CID 132563144

IUPAC4-(1-oct-1-ynylcyclohexyl)morpholine
SMILESCCCCCCC#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-8-11-18(12-9-7-10-13-18)19-14-16-20-17-15-19/h2-7,9-10,12-17H2,1H3
InChIKeyDCPAHALGPQUEPL-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.00
Rot. Bonds5

About 4-(1-oct-1-ynylcyclohexyl)morpholine

4-(1-oct-1-ynylcyclohexyl)morpholine (PubChem CID 132563144) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-(1-oct-1-ynylcyclohexyl)morpholine.

Molecular Properties

Compound Name4-(1-oct-1-ynylcyclohexyl)morpholine
PubChem CID132563144
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-(1-oct-1-ynylcyclohexyl)morpholine
SMILESCCCCCCC#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-8-11-18(12-9-7-10-13-18)19-14-16-20-17-15-19/h2-7,9-10,12-17H2,1H3
InChIKeyDCPAHALGPQUEPL-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Methylcyclohexyl)morpholine
CID 870789
4-(4-Propylheptan-4-yl)morpholine
CID 3049087
4-(4,4-Difluoro-1-methylcyclohexyl)morpholine
CID 134562135
4-(3-Methylcyclohexyl)morpholine
CID 45927896
4-(1-Cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine
CID 46184788
Tert-butyl-dimethyl-[2-(1-morpholin-4-ylcyclohexyl)ethynyl]silane
CID 71479653
Tert-butyl-dimethyl-[4-(1-morpholin-4-ylcyclohexyl)but-3-ynoxy]silane
CID 132563146
4-(2,5,10-Trimethylundec-6-yn-5-yl)morpholine
CID 135042933
4-(1-Hex-1-ynylcyclohexyl)morpholine
CID 135042994
4-(2-Methylcyclohexyl)morpholine
CID 13184347
4-(1-Methylcyclohexyl)morpholine
CID 20328106
4-[(1R,3R)-3-methylcyclohexyl]morpholine
CID 31196443

Frequently Asked Questions

What is the IUPAC name of 4-(1-oct-1-ynylcyclohexyl)morpholine?
The IUPAC name of 4-(1-oct-1-ynylcyclohexyl)morpholine (CID 132563144) is 4-(1-oct-1-ynylcyclohexyl)morpholine.
What is the SMILES notation for 4-(1-oct-1-ynylcyclohexyl)morpholine?
The canonical SMILES for 4-(1-oct-1-ynylcyclohexyl)morpholine is CCCCCCC#CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 4-(1-oct-1-ynylcyclohexyl)morpholine?
The InChIKey is DCPAHALGPQUEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-8-11-18(12-9-7-10-13-18)19-14-16-20-17-15-19/h2-7,9-10,12-17H2,1H3.
What are the key properties of 4-(1-oct-1-ynylcyclohexyl)morpholine?
4-(1-oct-1-ynylcyclohexyl)morpholine has a molecular weight of 277.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oct-1-ynylcyclohexyl)morpholine is sourced from PubChem (CID 132563144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).