3-(2,3-dimethylhex-2-enyl)morpholine

C12H23NO — CID 107889216

IUPAC3-(2,3-dimethylhex-2-enyl)morpholine
SMILESCCCC(C)=C(C)CC1COCCN1
InChIInChI=1S/C12H23NO/c1-4-5-10(2)11(3)8-12-9-14-7-6-13-12/h12-13H,4-9H2,1-3H3
InChIKeyIBCPSUVBFMTLDL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds4

About 3-(2,3-dimethylhex-2-enyl)morpholine

3-(2,3-dimethylhex-2-enyl)morpholine (PubChem CID 107889216) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(2,3-dimethylhex-2-enyl)morpholine.

Molecular Properties

Compound Name3-(2,3-dimethylhex-2-enyl)morpholine
PubChem CID107889216
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(2,3-dimethylhex-2-enyl)morpholine
SMILESCCCC(C)=C(C)CC1COCCN1
InChIInChI=1S/C12H23NO/c1-4-5-10(2)11(3)8-12-9-14-7-6-13-12/h12-13H,4-9H2,1-3H3
InChIKeyIBCPSUVBFMTLDL-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-3-ylpentan-2-imine;dihydrochloride
CID 174268999
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
3-[(Z)-4-ethyl-2-methyloct-2-enyl]morpholine
CID 113462306
1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone
CID 116595823
2-morpholin-3-yl-N-octylacetamide
CID 113337235
3-[2-(2-ethylcyclohexylidene)propyl]morpholine
CID 113462307
3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine
CID 104855441
N-(2-methylprop-2-enyl)-2-morpholin-3-ylacetamide
CID 114617037
3-(ethylsulfonylmethyl)morpholine
CID 84720172
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylhex-2-enyl)morpholine?
The IUPAC name of 3-(2,3-dimethylhex-2-enyl)morpholine (CID 107889216) is 3-(2,3-dimethylhex-2-enyl)morpholine.
What is the SMILES notation for 3-(2,3-dimethylhex-2-enyl)morpholine?
The canonical SMILES for 3-(2,3-dimethylhex-2-enyl)morpholine is CCCC(C)=C(C)CC1COCCN1.
What is the InChIKey of 3-(2,3-dimethylhex-2-enyl)morpholine?
The InChIKey is IBCPSUVBFMTLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-10(2)11(3)8-12-9-14-7-6-13-12/h12-13H,4-9H2,1-3H3.
What are the key properties of 3-(2,3-dimethylhex-2-enyl)morpholine?
3-(2,3-dimethylhex-2-enyl)morpholine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylhex-2-enyl)morpholine is sourced from PubChem (CID 107889216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).