2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine

C16H27NO — CID 2845488

IUPAC2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine
SMILESC=C(C)C1CC=C(CN2CC(C)OC(C)C2)CC1
InChIInChI=1S/C16H27NO/c1-12(2)16-7-5-15(6-8-16)11-17-9-13(3)18-14(4)10-17/h5,13-14,16H,1,6-11H2,2-4H3
InChIKeyHABGVALJRPPCLM-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.40
Rot. Bonds3

About 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine

2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine (PubChem CID 2845488) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine
PubChem CID2845488
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine
SMILESC=C(C)C1CC=C(CN2CC(C)OC(C)C2)CC1
InChIInChI=1S/C16H27NO/c1-12(2)16-7-5-15(6-8-16)11-17-9-13(3)18-14(4)10-17/h5,13-14,16H,1,6-11H2,2-4H3
InChIKeyHABGVALJRPPCLM-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine with MolForge

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Related Compounds

4-[(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]morpholine
CID 2845803
1-Methyl-1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidin-1-ium
CID 2828546
4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine
CID 10977479
Cambridge id 5425368
CID 782894
4-(3-Cyclohexen-1-ylmethyl)morpholine
CID 2849466
Cambridge id 5421199
CID 74229167
4-[[(3S)-1-(cyclohexen-1-ylmethyl)piperidin-3-yl]methyl]morpholine
CID 129506212
4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine
CID 71194659
(2R,6S)-4-[(E)-3-cyclohexylprop-2-enyl]-2,6-dimethylmorpholine
CID 164673256
4-[2-(1,1,2,2,6,6-hexamethyl-3H-pyridin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium
CID 209675
4-(3-Methylcyclohex-2-en-1-yl)morpholine
CID 11019478
4-(3-Methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)morpholine
CID 12485231

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine (CID 2845488) is 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine is C=C(C)C1CC=C(CN2CC(C)OC(C)C2)CC1.
What is the InChIKey of 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine?
The InChIKey is HABGVALJRPPCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)16-7-5-15(6-8-16)11-17-9-13(3)18-14(4)10-17/h5,13-14,16H,1,6-11H2,2-4H3.
What are the key properties of 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine?
2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine has a molecular weight of 249.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]morpholine is sourced from PubChem (CID 2845488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).