(5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal

C13H23NO — CID 143433196

IUPAC(5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal
SMILESCCN(C)C(C)/C=C\C=C/CCCC=O
InChIInChI=1S/C13H23NO/c1-4-14(3)13(2)11-9-7-5-6-8-10-12-15/h5,7,9,11-13H,4,6,8,10H2,1-3H3/b7-5-,11-9-
InChIKeyRYRDRGJXUCDFBS-CXHWBCNXSA-N
MW209.33 g/mol
LogP2.81
Rot. Bonds8

About (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal

(5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal (PubChem CID 143433196) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal.

Molecular Properties

Compound Name(5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal
PubChem CID143433196
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal
SMILESCCN(C)C(C)/C=C\C=C/CCCC=O
InChIInChI=1S/C13H23NO/c1-4-14(3)13(2)11-9-7-5-6-8-10-12-15/h5,7,9,11-13H,4,6,8,10H2,1-3H3/b7-5-,11-9-
InChIKeyRYRDRGJXUCDFBS-CXHWBCNXSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal?
The IUPAC name of (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal (CID 143433196) is (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal.
What is the SMILES notation for (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal?
The canonical SMILES for (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal is CCN(C)C(C)/C=C\C=C/CCCC=O.
What is the InChIKey of (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal?
The InChIKey is RYRDRGJXUCDFBS-CXHWBCNXSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-14(3)13(2)11-9-7-5-6-8-10-12-15/h5,7,9,11-13H,4,6,8,10H2,1-3H3/b7-5-,11-9-.
What are the key properties of (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal?
(5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal has a molecular weight of 209.33 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-9-[ethyl(methyl)amino]deca-5,7-dienal is sourced from PubChem (CID 143433196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).