N-(2-methylpropyl)hexa-2,4-dienamide

C10H17NO — CID 71375318

IUPACN-(2-methylpropyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12)
InChIKeyDHXYPSWRPDLKGG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.89
Rot. Bonds4

About N-(2-methylpropyl)hexa-2,4-dienamide

N-(2-methylpropyl)hexa-2,4-dienamide (PubChem CID 71375318) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(2-methylpropyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2-methylpropyl)hexa-2,4-dienamide
PubChem CID71375318
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(2-methylpropyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12)
InChIKeyDHXYPSWRPDLKGG-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-(2-methylpropyl)hexa-2,4-dienamide?
The IUPAC name of N-(2-methylpropyl)hexa-2,4-dienamide (CID 71375318) is N-(2-methylpropyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(2-methylpropyl)hexa-2,4-dienamide?
The canonical SMILES for N-(2-methylpropyl)hexa-2,4-dienamide is CC=CC=CC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)hexa-2,4-dienamide?
The InChIKey is DHXYPSWRPDLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12).
What are the key properties of N-(2-methylpropyl)hexa-2,4-dienamide?
N-(2-methylpropyl)hexa-2,4-dienamide has a molecular weight of 167.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)hexa-2,4-dienamide is sourced from PubChem (CID 71375318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).