1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine

C14H25N — CID 130462131

IUPAC1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine
SMILESC=CC(C)CC/C(C)=C/CN1CCCC1
InChIInChI=1S/C14H25N/c1-4-13(2)7-8-14(3)9-12-15-10-5-6-11-15/h4,9,13H,1,5-8,10-12H2,2-3H3/b14-9+
InChIKeyXNLNAKXSOJDREB-NTEUORMPSA-N
MW207.36 g/mol
LogP3.63
Rot. Bonds6

About 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine

1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine (PubChem CID 130462131) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine
PubChem CID130462131
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine
SMILESC=CC(C)CC/C(C)=C/CN1CCCC1
InChIInChI=1S/C14H25N/c1-4-13(2)7-8-14(3)9-12-15-10-5-6-11-15/h4,9,13H,1,5-8,10-12H2,2-3H3/b14-9+
InChIKeyXNLNAKXSOJDREB-NTEUORMPSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol
CID 14658329
(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene
CID 87448606
N,5-dimethylhepta-1,6-dien-2-amine
CID 155584945
N,4-dimethylhex-5-enamide
CID 155715427
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene
CID 5471130
1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine
CID 144835688
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
8,12-dimethyltetradeca-1,3,8,13-tetraene
CID 91474104
1-prop-2-enyl(213C)azinane
CID 173137320
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane
CID 44514516

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine?
The IUPAC name of 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine (CID 130462131) is 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine?
The canonical SMILES for 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine is C=CC(C)CC/C(C)=C/CN1CCCC1.
What is the InChIKey of 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine?
The InChIKey is XNLNAKXSOJDREB-NTEUORMPSA-N. The full InChI is InChI=1S/C14H25N/c1-4-13(2)7-8-14(3)9-12-15-10-5-6-11-15/h4,9,13H,1,5-8,10-12H2,2-3H3/b14-9+.
What are the key properties of 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine?
1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine is sourced from PubChem (CID 130462131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).