3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine

C16H27NO2 — CID 137383035

IUPAC3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine
SMILESC=C(/C=C\C/C(C)=C\C)N1CCC(OCCOC)C1
InChIInChI=1S/C16H27NO2/c1-5-14(2)7-6-8-15(3)17-10-9-16(13-17)19-12-11-18-4/h5-6,8,16H,3,7,9-13H2,1-2,4H3/b8-6-,14-5-
InChIKeyCEJMUCLLTJXZLC-KJDQYJRRSA-N
MW265.40 g/mol
LogP3.15
Rot. Bonds8

About 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine

3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine (PubChem CID 137383035) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine
PubChem CID137383035
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine
SMILESC=C(/C=C\C/C(C)=C\C)N1CCC(OCCOC)C1
InChIInChI=1S/C16H27NO2/c1-5-14(2)7-6-8-15(3)17-10-9-16(13-17)19-12-11-18-4/h5-6,8,16H,3,7,9-13H2,1-2,4H3/b8-6-,14-5-
InChIKeyCEJMUCLLTJXZLC-KJDQYJRRSA-N
XLogP3.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxy)pyrrolidine-1-carboxamide
CID 99856849
2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol
CID 170631358
cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844209
3-hept-6-enoxypyrrolidine-1-carboxylic acid
CID 175825643
(3R)-3-(2-methoxyethoxy)-1-methylpiperidine
CID 59007577
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302
3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid
CID 146417314
2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 64611799
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine?
The IUPAC name of 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine (CID 137383035) is 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine?
The canonical SMILES for 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine is C=C(/C=C\C/C(C)=C\C)N1CCC(OCCOC)C1.
What is the InChIKey of 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine?
The InChIKey is CEJMUCLLTJXZLC-KJDQYJRRSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-14(2)7-6-8-15(3)17-10-9-16(13-17)19-12-11-18-4/h5-6,8,16H,3,7,9-13H2,1-2,4H3/b8-6-,14-5-.
What are the key properties of 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine?
3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine has a molecular weight of 265.40 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-[(3Z,6Z)-6-methylocta-1,3,6-trien-2-yl]pyrrolidine is sourced from PubChem (CID 137383035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).