N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide

C12H19NO — CID 123471211

IUPACN-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide
SMILESC=CC=C(C=C)NC(=O)CC(C)(C)C
InChIInChI=1S/C12H19NO/c1-6-8-10(7-2)13-11(14)9-12(3,4)5/h6-8H,1-2,9H2,3-5H3,(H,13,14)
InChIKeyRFLNUYNNQOWFMJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.79
Rot. Bonds4

About N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide

N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide (PubChem CID 123471211) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide
PubChem CID123471211
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide
SMILESC=CC=C(C=C)NC(=O)CC(C)(C)C
InChIInChI=1S/C12H19NO/c1-6-8-10(7-2)13-11(14)9-12(3,4)5/h6-8H,1-2,9H2,3-5H3,(H,13,14)
InChIKeyRFLNUYNNQOWFMJ-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide
CID 123529240
N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide
CID 144539049
N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide
CID 155276570
2-methyl-N-[(3E)-2-methylhexa-3,5-dien-3-yl]butanamide
CID 87412656
N-[(3Z)-penta-1,3-dien-2-yl]propanamide
CID 88189429
N-but-2-en-2-yl-3-methylbutanamide
CID 88738573
N-penta-1,3-dien-2-ylbutanamide
CID 90879471
N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide
CID 91047891
N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide
CID 118348866
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]propanamide
CID 118612266
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide
CID 122651584
3,3-dimethyl-N-pent-2-en-3-ylbutanamide
CID 123172686

Frequently Asked Questions

What is the IUPAC name of N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide?
The IUPAC name of N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide (CID 123471211) is N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide.
What is the SMILES notation for N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide?
The canonical SMILES for N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide is C=CC=C(C=C)NC(=O)CC(C)(C)C.
What is the InChIKey of N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide?
The InChIKey is RFLNUYNNQOWFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-6-8-10(7-2)13-11(14)9-12(3,4)5/h6-8H,1-2,9H2,3-5H3,(H,13,14).
What are the key properties of N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide?
N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide has a molecular weight of 193.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide is sourced from PubChem (CID 123471211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).