(3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal

C11H18N2O — CID 134182098

IUPAC(3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal
SMILESC=CN(C)/C=C/C=C\C(C=O)N(C)C
InChIInChI=1S/C11H18N2O/c1-5-13(4)9-7-6-8-11(10-14)12(2)3/h5-11H,1H2,2-4H3/b8-6-,9-7+
InChIKeyQXVGACQHZGJVKU-MKKAVFGOSA-N
MW194.28 g/mol
LogP1.26
Rot. Bonds6

About (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal

(3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal (PubChem CID 134182098) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal.

Molecular Properties

Compound Name(3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal
PubChem CID134182098
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal
SMILESC=CN(C)/C=C/C=C\C(C=O)N(C)C
InChIInChI=1S/C11H18N2O/c1-5-13(4)9-7-6-8-11(10-14)12(2)3/h5-11H,1H2,2-4H3/b8-6-,9-7+
InChIKeyQXVGACQHZGJVKU-MKKAVFGOSA-N
XLogP1.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal?
The IUPAC name of (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal (CID 134182098) is (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal.
What is the SMILES notation for (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal?
The canonical SMILES for (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal is C=CN(C)/C=C/C=C\C(C=O)N(C)C.
What is the InChIKey of (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal?
The InChIKey is QXVGACQHZGJVKU-MKKAVFGOSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-13(4)9-7-6-8-11(10-14)12(2)3/h5-11H,1H2,2-4H3/b8-6-,9-7+.
What are the key properties of (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal?
(3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal has a molecular weight of 194.28 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-(dimethylamino)-6-[ethenyl(methyl)amino]hexa-3,5-dienal is sourced from PubChem (CID 134182098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).