(4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide

C14H24N2O2 — CID 142275212

IUPAC(4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide
SMILESCC/C=C(N)\C=C/C(C)CC(=O)NCCCC=O
InChIInChI=1S/C14H24N2O2/c1-3-6-13(15)8-7-12(2)11-14(18)16-9-4-5-10-17/h6-8,10,12H,3-5,9,11,15H2,1-2H3,(H,16,18)/b8-7-,13-6+
InChIKeyYPUBSMQNGLOTCK-ZUKYEBQOSA-N
MW252.36 g/mol
LogP1.92
Rot. Bonds9

About (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide

(4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide (PubChem CID 142275212) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide.

Molecular Properties

Compound Name(4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide
PubChem CID142275212
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide
SMILESCC/C=C(N)\C=C/C(C)CC(=O)NCCCC=O
InChIInChI=1S/C14H24N2O2/c1-3-6-13(15)8-7-12(2)11-14(18)16-9-4-5-10-17/h6-8,10,12H,3-5,9,11,15H2,1-2H3,(H,16,18)/b8-7-,13-6+
InChIKeyYPUBSMQNGLOTCK-ZUKYEBQOSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide?
The IUPAC name of (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide (CID 142275212) is (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide.
What is the SMILES notation for (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide?
The canonical SMILES for (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide is CC/C=C(N)\C=C/C(C)CC(=O)NCCCC=O.
What is the InChIKey of (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide?
The InChIKey is YPUBSMQNGLOTCK-ZUKYEBQOSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-13(15)8-7-12(2)11-14(18)16-9-4-5-10-17/h6-8,10,12H,3-5,9,11,15H2,1-2H3,(H,16,18)/b8-7-,13-6+.
What are the key properties of (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide?
(4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide has a molecular weight of 252.36 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-amino-3-methyl-N-(4-oxobutyl)nona-4,6-dienamide is sourced from PubChem (CID 142275212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).