(2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine

C14H24N2 — CID 154992810

IUPAC(2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine
SMILESCCC=C/N=C/C=C\C=C(/C)C[C@@H](C)NC
InChIInChI=1S/C14H24N2/c1-5-6-10-16-11-8-7-9-13(2)12-14(3)15-4/h6-11,14-15H,5,12H2,1-4H3/b8-7-,10-6?,13-9+,16-11+/t14-/m1/s1
InChIKeyWYSUQQZPJGXLQQ-BOQVAHSLSA-N
MW220.36 g/mol
LogP3.48
Rot. Bonds7

About (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine

(2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine (PubChem CID 154992810) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine.

Molecular Properties

Compound Name(2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine
PubChem CID154992810
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine
SMILESCCC=C/N=C/C=C\C=C(/C)C[C@@H](C)NC
InChIInChI=1S/C14H24N2/c1-5-6-10-16-11-8-7-9-13(2)12-14(3)15-4/h6-11,14-15H,5,12H2,1-4H3/b8-7-,10-6?,13-9+,16-11+/t14-/m1/s1
InChIKeyWYSUQQZPJGXLQQ-BOQVAHSLSA-N
XLogP3.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine?
The IUPAC name of (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine (CID 154992810) is (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine.
What is the SMILES notation for (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine?
The canonical SMILES for (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine is CCC=C/N=C/C=C\C=C(/C)C[C@@H](C)NC.
What is the InChIKey of (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine?
The InChIKey is WYSUQQZPJGXLQQ-BOQVAHSLSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-6-10-16-11-8-7-9-13(2)12-14(3)15-4/h6-11,14-15H,5,12H2,1-4H3/b8-7-,10-6?,13-9+,16-11+/t14-/m1/s1.
What are the key properties of (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine?
(2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine has a molecular weight of 220.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine is sourced from PubChem (CID 154992810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).