4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium

C14H24NO+ — CID 7444343

IUPAC4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium
SMILESC=C(C)[C@H]1CC=C(C[NH+]2CCOCC2)CC1
InChIInChI=1S/C14H23NO/c1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15/h3,14H,1,4-11H2,2H3/p+1/t14-/m0/s1
InChIKeyLKTHUGNSRDBLRF-AWEZNQCLSA-O
MW222.35 g/mol
LogP1.20
Rot. Bonds3

About 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium

4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium (PubChem CID 7444343) has the molecular formula C14H24NO+ and a molecular weight of 222.35 g/mol. Its IUPAC name is 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium
PubChem CID7444343
Molecular FormulaC14H24NO+
Molecular Weight222.35 g/mol
Exact Mass222.19
IUPAC Name4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium
SMILESC=C(C)[C@H]1CC=C(C[NH+]2CCOCC2)CC1
InChIInChI=1S/C14H23NO/c1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15/h3,14H,1,4-11H2,2H3/p+1/t14-/m0/s1
InChIKeyLKTHUGNSRDBLRF-AWEZNQCLSA-O
XLogP1.20
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium with MolForge

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Related Compounds

4-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-2,6-dimethylmorpholine
CID 2845488
4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine
CID 10977479
Cyclohex-3-enylmethyl-(2-morpholin-4-yl-ethyl)-amine
CID 3152374
[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
Cyclohex-3-enylmethyl-(3-morpholin-4-yl-propyl)-amine
CID 3152141
Cambridge id 5421199
CID 74229167
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
CID 75431555
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103276798
2-(2,2-difluoroethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 105906033
4-(3-Methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)morpholine
CID 12485231
4-[3-(4-Methylcyclohex-3-en-1-yl)butyl]morpholine
CID 20223282
2-(Cyclohex-3-en-1-yl)morpholine
CID 67609598

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium?
The IUPAC name of 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium (CID 7444343) is 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium.
What is the SMILES notation for 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium?
The canonical SMILES for 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium is C=C(C)[C@H]1CC=C(C[NH+]2CCOCC2)CC1.
What is the InChIKey of 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium?
The InChIKey is LKTHUGNSRDBLRF-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H23NO/c1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15/h3,14H,1,4-11H2,2H3/p+1/t14-/m0/s1.
What are the key properties of 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium?
4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium has a molecular weight of 222.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium is sourced from PubChem (CID 7444343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).