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

C16H27NO — CID 782417

IUPAC(2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine
SMILESC=C(C)[C@@H]1CC=C(CN2C[C@@H](C)O[C@H](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/t13-,14-,16-/m1/s1
InChIKeyHABGVALJRPPCLM-IIAWOOMASA-N
MW249.40 g/mol
LogP3.40
Rot. Bonds3

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

(2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine (PubChem CID 782417) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine
PubChem CID782417
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine
SMILESC=C(C)[C@@H]1CC=C(CN2C[C@@H](C)O[C@H](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/t13-,14-,16-/m1/s1
InChIKeyHABGVALJRPPCLM-IIAWOOMASA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine (CID 782417) is (2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine is C=C(C)[C@@H]1CC=C(CN2C[C@@H](C)O[C@H](C)C2)CC1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine?
The InChIKey is HABGVALJRPPCLM-IIAWOOMASA-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/t13-,14-,16-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine?
(2R,6R)-2,6-dimethyl-4-[[(4S)-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 (2R,6R)-2,6-dimethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholine is sourced from PubChem (CID 782417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).