2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine

C21H38N2O — CID 91548989

IUPAC2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCN1CCOCC1CCN
InChIInChI=1S/C21H38N2O/c1-18(2)7-5-8-19(3)9-6-10-20(4)12-14-23-15-16-24-17-21(23)11-13-22/h7,9,12,21H,5-6,8,10-11,13-17,22H2,1-4H3
InChIKeyYPIDPXJFARZBMI-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.46
Rot. Bonds10

About 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine

2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine (PubChem CID 91548989) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine
PubChem CID91548989
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC Name2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCN1CCOCC1CCN
InChIInChI=1S/C21H38N2O/c1-18(2)7-5-8-19(3)9-6-10-20(4)12-14-23-15-16-24-17-21(23)11-13-22/h7,9,12,21H,5-6,8,10-11,13-17,22H2,1-4H3
InChIKeyYPIDPXJFARZBMI-UHFFFAOYSA-N
XLogP4.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine?
The IUPAC name of 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine (CID 91548989) is 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine?
The canonical SMILES for 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine is CC(C)=CCCC(C)=CCCC(C)=CCN1CCOCC1CCN.
What is the InChIKey of 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine?
The InChIKey is YPIDPXJFARZBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-18(2)7-5-8-19(3)9-6-10-20(4)12-14-23-15-16-24-17-21(23)11-13-22/h7,9,12,21H,5-6,8,10-11,13-17,22H2,1-4H3.
What are the key properties of 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine?
2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine has a molecular weight of 334.55 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)morpholin-3-yl]ethanamine is sourced from PubChem (CID 91548989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).