1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine

C14H25N — CID 166820090

IUPAC1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine
SMILESCCC(C)/C=C\C(C)=C(/C)N1CCCC1
InChIInChI=1S/C14H25N/c1-5-12(2)8-9-13(3)14(4)15-10-6-7-11-15/h8-9,12H,5-7,10-11H2,1-4H3/b9-8-,14-13+
InChIKeyZOGHXELCURXJNF-NRSBDZSJSA-N
MW207.36 g/mol
LogP3.98
Rot. Bonds4

About 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine

1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine (PubChem CID 166820090) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine
PubChem CID166820090
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine
SMILESCCC(C)/C=C\C(C)=C(/C)N1CCCC1
InChIInChI=1S/C14H25N/c1-5-12(2)8-9-13(3)14(4)15-10-6-7-11-15/h8-9,12H,5-7,10-11H2,1-4H3/b9-8-,14-13+
InChIKeyZOGHXELCURXJNF-NRSBDZSJSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-3-methylpent-1-enyl]piperidine
CID 131883569
1-(3-methylbut-2-en-2-yl)pyrrolidine
CID 15569618
3,6-dimethylocta-2,4-dienal
CID 54187516
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one
CID 59559289
propane;1-pyrrolidin-1-ylethanone
CID 143432619
8-[(3Z,5Z)-7-methylnona-1,3,5-trien-4-yl]-1,4-dioxaspiro[4.5]decane
CID 171811105
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
3,7,10-trimethyldodeca-2,4,6,8-tetraenal
CID 71405843
(E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine
CID 143378260

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine?
The IUPAC name of 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine (CID 166820090) is 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine?
The canonical SMILES for 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine is CCC(C)/C=C\C(C)=C(/C)N1CCCC1.
What is the InChIKey of 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine?
The InChIKey is ZOGHXELCURXJNF-NRSBDZSJSA-N. The full InChI is InChI=1S/C14H25N/c1-5-12(2)8-9-13(3)14(4)15-10-6-7-11-15/h8-9,12H,5-7,10-11H2,1-4H3/b9-8-,14-13+.
What are the key properties of 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine?
1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine is sourced from PubChem (CID 166820090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).