4-(1,3-dicyclohexylprop-2-ynyl)morpholine

C19H31NO — CID 102165172

IUPAC4-(1,3-dicyclohexylprop-2-ynyl)morpholine
SMILESC(#CC(C1CCCCC1)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h17-19H,1-10,13-16H2
InChIKeyHGNTUHUREJHBQZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.85
Rot. Bonds2

About 4-(1,3-dicyclohexylprop-2-ynyl)morpholine

4-(1,3-dicyclohexylprop-2-ynyl)morpholine (PubChem CID 102165172) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-(1,3-dicyclohexylprop-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(1,3-dicyclohexylprop-2-ynyl)morpholine
PubChem CID102165172
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-(1,3-dicyclohexylprop-2-ynyl)morpholine
SMILESC(#CC(C1CCCCC1)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h17-19H,1-10,13-16H2
InChIKeyHGNTUHUREJHBQZ-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Ethylcyclohexyl)morpholine
CID 756963
4-Cyclohexyl-4-morpholin-4-ylbut-2-yn-1-ol
CID 46184786
4-(1-Cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine
CID 46184788
4-(1-Hex-1-ynylcyclohexyl)morpholine
CID 135042994
4-(2-Ethylcyclohexyl)morpholine
CID 13184353
4-(2-Cyclohexylethyl)morpholine
CID 53761242
4-(2-Cyclohexylethyl)-3-methylmorpholine
CID 57008137
4-(1-Cyclohexylethyl)morpholine
CID 57202414
4-(3-Cyclohexylpropyl)morpholine
CID 70222228
4-(3-Ethylcyclohexyl)morpholine
CID 130165374
4-[4-[1-(3-Propan-2-ylcyclohexyl)propan-2-yl]cyclohexyl]morpholine
CID 139390358
4-(Dicyclohexylmethyl)morpholine
CID 141976623

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dicyclohexylprop-2-ynyl)morpholine?
The IUPAC name of 4-(1,3-dicyclohexylprop-2-ynyl)morpholine (CID 102165172) is 4-(1,3-dicyclohexylprop-2-ynyl)morpholine.
What is the SMILES notation for 4-(1,3-dicyclohexylprop-2-ynyl)morpholine?
The canonical SMILES for 4-(1,3-dicyclohexylprop-2-ynyl)morpholine is C(#CC(C1CCCCC1)N1CCOCC1)C1CCCCC1.
What is the InChIKey of 4-(1,3-dicyclohexylprop-2-ynyl)morpholine?
The InChIKey is HGNTUHUREJHBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h17-19H,1-10,13-16H2.
What are the key properties of 4-(1,3-dicyclohexylprop-2-ynyl)morpholine?
4-(1,3-dicyclohexylprop-2-ynyl)morpholine has a molecular weight of 289.46 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dicyclohexylprop-2-ynyl)morpholine is sourced from PubChem (CID 102165172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).