4-(1-hex-1-ynylcyclohexyl)morpholine

C16H27NO — CID 135042994

IUPAC4-(1-hex-1-ynylcyclohexyl)morpholine
SMILESCCCCC#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C16H27NO/c1-2-3-4-6-9-16(10-7-5-8-11-16)17-12-14-18-15-13-17/h2-5,7-8,10-15H2,1H3
InChIKeyZIFPIZBEJLOLCH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.22
Rot. Bonds3

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

4-(1-hex-1-ynylcyclohexyl)morpholine (PubChem CID 135042994) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(1-hex-1-ynylcyclohexyl)morpholine.

Molecular Properties

Compound Name4-(1-hex-1-ynylcyclohexyl)morpholine
PubChem CID135042994
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(1-hex-1-ynylcyclohexyl)morpholine
SMILESCCCCC#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C16H27NO/c1-2-3-4-6-9-16(10-7-5-8-11-16)17-12-14-18-15-13-17/h2-5,7-8,10-15H2,1H3
InChIKeyZIFPIZBEJLOLCH-UHFFFAOYSA-N
XLogP3.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.22
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-(2-Methylcyclohexyl)morpholine
CID 13184347
4-(1-Methylcyclohexyl)morpholine
CID 20328106
4-[(1R,3R)-3-methylcyclohexyl]morpholine
CID 31196443
4-[(1S,3S)-3-methylcyclohexyl]morpholine
CID 31196449

Frequently Asked Questions

What is the IUPAC name of 4-(1-hex-1-ynylcyclohexyl)morpholine?
The IUPAC name of 4-(1-hex-1-ynylcyclohexyl)morpholine (CID 135042994) is 4-(1-hex-1-ynylcyclohexyl)morpholine.
What is the SMILES notation for 4-(1-hex-1-ynylcyclohexyl)morpholine?
The canonical SMILES for 4-(1-hex-1-ynylcyclohexyl)morpholine is CCCCC#CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 4-(1-hex-1-ynylcyclohexyl)morpholine?
The InChIKey is ZIFPIZBEJLOLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-4-6-9-16(10-7-5-8-11-16)17-12-14-18-15-13-17/h2-5,7-8,10-15H2,1H3.
What are the key properties of 4-(1-hex-1-ynylcyclohexyl)morpholine?
4-(1-hex-1-ynylcyclohexyl)morpholine has a molecular weight of 249.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hex-1-ynylcyclohexyl)morpholine is sourced from PubChem (CID 135042994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).