(5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal

C14H25NO — CID 89193963

IUPAC(5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal
SMILESC/C=C(\C=C/C(C)CCC=O)N(CC)CC
InChIInChI=1S/C14H25NO/c1-5-14(15(6-2)7-3)11-10-13(4)9-8-12-16/h5,10-13H,6-9H2,1-4H3/b11-10-,14-5+
InChIKeyCQMPFNQMVMYIAS-VKVAAMHVSA-N
MW223.36 g/mol
LogP3.40
Rot. Bonds8

About (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal

(5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal (PubChem CID 89193963) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal.

Molecular Properties

Compound Name(5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal
PubChem CID89193963
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal
SMILESC/C=C(\C=C/C(C)CCC=O)N(CC)CC
InChIInChI=1S/C14H25NO/c1-5-14(15(6-2)7-3)11-10-13(4)9-8-12-16/h5,10-13H,6-9H2,1-4H3/b11-10-,14-5+
InChIKeyCQMPFNQMVMYIAS-VKVAAMHVSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal?
The IUPAC name of (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal (CID 89193963) is (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal.
What is the SMILES notation for (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal?
The canonical SMILES for (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal is C/C=C(\C=C/C(C)CCC=O)N(CC)CC.
What is the InChIKey of (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal?
The InChIKey is CQMPFNQMVMYIAS-VKVAAMHVSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-14(15(6-2)7-3)11-10-13(4)9-8-12-16/h5,10-13H,6-9H2,1-4H3/b11-10-,14-5+.
What are the key properties of (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal?
(5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal has a molecular weight of 223.36 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-7-(diethylamino)-4-methylnona-5,7-dienal is sourced from PubChem (CID 89193963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).