4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine

C16H25NO — CID 46184788

IUPAC4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine
SMILESC(#CC(C1CCCCC1)N1CCOCC1)C1CC1
InChIInChI=1S/C16H25NO/c1-2-4-15(5-3-1)16(9-8-14-6-7-14)17-10-12-18-13-11-17/h14-16H,1-7,10-13H2
InChIKeyQOMGQEDYYXYRSR-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.68
Rot. Bonds2

About 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine

4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine (PubChem CID 46184788) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine
PubChem CID46184788
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine
SMILESC(#CC(C1CCCCC1)N1CCOCC1)C1CC1
InChIInChI=1S/C16H25NO/c1-2-4-15(5-3-1)16(9-8-14-6-7-14)17-10-12-18-13-11-17/h14-16H,1-7,10-13H2
InChIKeyQOMGQEDYYXYRSR-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.68
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-Hex-1-ynylcyclohexyl)morpholine
CID 135042994
4-(6-Bicyclo[3.1.0]hexanyl)morpholine
CID 12811780
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-(Dicyclohexylmethyl)morpholine
CID 141976623
4-(4-Propylcyclohexyl)morpholine
CID 143553796

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine?
The IUPAC name of 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine (CID 46184788) is 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine.
What is the SMILES notation for 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine?
The canonical SMILES for 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine is C(#CC(C1CCCCC1)N1CCOCC1)C1CC1.
What is the InChIKey of 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine?
The InChIKey is QOMGQEDYYXYRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-4-15(5-3-1)16(9-8-14-6-7-14)17-10-12-18-13-11-17/h14-16H,1-7,10-13H2.
What are the key properties of 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine?
4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine has a molecular weight of 247.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyl-3-cyclopropylprop-2-ynyl)morpholine is sourced from PubChem (CID 46184788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).