(2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide

C11H20N2O — CID 89153676

IUPAC(2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide
SMILESC/C=C(C)/C=C(/N)C(=O)NCCCC
InChIInChI=1S/C11H20N2O/c1-4-6-7-13-11(14)10(12)8-9(3)5-2/h5,8H,4,6-7,12H2,1-3H3,(H,13,14)/b9-5+,10-8+
InChIKeyWFVUYQXOOLZPCZ-MUDDOMJDSA-N
MW196.29 g/mol
LogP1.71
Rot. Bonds5

About (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide

(2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide (PubChem CID 89153676) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide
PubChem CID89153676
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide
SMILESC/C=C(C)/C=C(/N)C(=O)NCCCC
InChIInChI=1S/C11H20N2O/c1-4-6-7-13-11(14)10(12)8-9(3)5-2/h5,8H,4,6-7,12H2,1-3H3,(H,13,14)/b9-5+,10-8+
InChIKeyWFVUYQXOOLZPCZ-MUDDOMJDSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide (CID 89153676) is (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide is C/C=C(C)/C=C(/N)C(=O)NCCCC.
What is the InChIKey of (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide?
The InChIKey is WFVUYQXOOLZPCZ-MUDDOMJDSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-7-13-11(14)10(12)8-9(3)5-2/h5,8H,4,6-7,12H2,1-3H3,(H,13,14)/b9-5+,10-8+.
What are the key properties of (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide?
(2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide has a molecular weight of 196.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide is sourced from PubChem (CID 89153676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).