(2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide

C14H25NO — CID 11241561

IUPAC(2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide
SMILESCC/C=C\CC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C14H25NO/c1-4-6-7-8-9-10-11-14(16)15-12-13(3)5-2/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,15,16)/b7-6-,11-10+
InChIKeyKBSRQSMNQVLEDR-JFEAUALZSA-N
MW223.36 g/mol
LogP3.45
Rot. Bonds8

About (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide

(2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide (PubChem CID 11241561) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide.

Molecular Properties

Compound Name(2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide
PubChem CID11241561
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide
SMILESCC/C=C\CC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C14H25NO/c1-4-6-7-8-9-10-11-14(16)15-12-13(3)5-2/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,15,16)/b7-6-,11-10+
InChIKeyKBSRQSMNQVLEDR-JFEAUALZSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide?
The IUPAC name of (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide (CID 11241561) is (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide.
What is the SMILES notation for (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide?
The canonical SMILES for (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide is CC/C=C\CC/C=C/C(=O)NCC(C)CC.
What is the InChIKey of (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide?
The InChIKey is KBSRQSMNQVLEDR-JFEAUALZSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-7-8-9-10-11-14(16)15-12-13(3)5-2/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,15,16)/b7-6-,11-10+.
What are the key properties of (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide?
(2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide has a molecular weight of 223.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide is sourced from PubChem (CID 11241561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).