4-(1-cyclohexylnon-2-ynyl)morpholine

C19H33NO — CID 46184785

IUPAC4-(1-cyclohexylnon-2-ynyl)morpholine
SMILESCCCCCCC#CC(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-10-13-19(18-11-8-7-9-12-18)20-14-16-21-17-15-20/h18-19H,2-9,11-12,14-17H2,1H3
InChIKeyQGEMPYJWWVSGNI-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.24
Rot. Bonds6

About 4-(1-cyclohexylnon-2-ynyl)morpholine

4-(1-cyclohexylnon-2-ynyl)morpholine (PubChem CID 46184785) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-(1-cyclohexylnon-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(1-cyclohexylnon-2-ynyl)morpholine
PubChem CID46184785
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name4-(1-cyclohexylnon-2-ynyl)morpholine
SMILESCCCCCCC#CC(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-10-13-19(18-11-8-7-9-12-18)20-14-16-21-17-15-20/h18-19H,2-9,11-12,14-17H2,1H3
InChIKeyQGEMPYJWWVSGNI-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.24
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-Ethylcyclohexyl)morpholine
CID 756963
4-(1,5,9-Trimethyldecyl)-2,6-dimethyl morpholine
CID 85957220
4-(4-Ethylcyclohexyl)-2,6-dimethylmorpholine
CID 2845392
4-(3-Methylcyclohexyl)morpholine
CID 45927896
4-Cyclohexyl-4-morpholin-4-ylbut-2-yn-1-ol
CID 46184786
4-(1-Cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine
CID 46184788
Tert-butyl-dimethyl-[2-(1-morpholin-4-ylcyclohexyl)ethynyl]silane
CID 71479653
4-(2,5,10-Trimethylundec-6-yn-5-yl)morpholine
CID 135042933
4-(1-Hex-1-ynylcyclohexyl)morpholine
CID 135042994
4-(2-Cyclohexylethyl)-4-methylmorpholin-4-ium bromide
CID 24184100
4-(2-Methylcyclohexyl)morpholine
CID 13184347

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylnon-2-ynyl)morpholine?
The IUPAC name of 4-(1-cyclohexylnon-2-ynyl)morpholine (CID 46184785) is 4-(1-cyclohexylnon-2-ynyl)morpholine.
What is the SMILES notation for 4-(1-cyclohexylnon-2-ynyl)morpholine?
The canonical SMILES for 4-(1-cyclohexylnon-2-ynyl)morpholine is CCCCCCC#CC(C1CCCCC1)N1CCOCC1.
What is the InChIKey of 4-(1-cyclohexylnon-2-ynyl)morpholine?
The InChIKey is QGEMPYJWWVSGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-2-3-4-5-6-10-13-19(18-11-8-7-9-12-18)20-14-16-21-17-15-20/h18-19H,2-9,11-12,14-17H2,1H3.
What are the key properties of 4-(1-cyclohexylnon-2-ynyl)morpholine?
4-(1-cyclohexylnon-2-ynyl)morpholine has a molecular weight of 291.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylnon-2-ynyl)morpholine is sourced from PubChem (CID 46184785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).