N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide

C12H22N2O — CID 115282583

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C12H22N2O/c1-5-6-7-8-11(15)14-12(4,9-13)10(2)3/h5-8,10H,9,13H2,1-4H3,(H,14,15)
InChIKeyOWSBUZLBALOJMH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.61
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide

N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide (PubChem CID 115282583) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide
PubChem CID115282583
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C12H22N2O/c1-5-6-7-8-11(15)14-12(4,9-13)10(2)3/h5-8,10H,9,13H2,1-4H3,(H,14,15)
InChIKeyOWSBUZLBALOJMH-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide (CID 115282583) is N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide is CC=CC=CC(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide?
The InChIKey is OWSBUZLBALOJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-6-7-8-11(15)14-12(4,9-13)10(2)3/h5-8,10H,9,13H2,1-4H3,(H,14,15).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide?
N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide has a molecular weight of 210.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 115282583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).