2-(5-methylhexa-3,5-dienylamino)acetamide

C9H16N2O — CID 139967857

IUPAC2-(5-methylhexa-3,5-dienylamino)acetamide
SMILESC=C(C)C=CCCNCC(N)=O
InChIInChI=1S/C9H16N2O/c1-8(2)5-3-4-6-11-7-9(10)12/h3,5,11H,1,4,6-7H2,2H3,(H2,10,12)
InChIKeyFGKGHKCKYIECFA-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.58
Rot. Bonds6

About 2-(5-methylhexa-3,5-dienylamino)acetamide

2-(5-methylhexa-3,5-dienylamino)acetamide (PubChem CID 139967857) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(5-methylhexa-3,5-dienylamino)acetamide.

Molecular Properties

Compound Name2-(5-methylhexa-3,5-dienylamino)acetamide
PubChem CID139967857
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(5-methylhexa-3,5-dienylamino)acetamide
SMILESC=C(C)C=CCCNCC(N)=O
InChIInChI=1S/C9H16N2O/c1-8(2)5-3-4-6-11-7-9(10)12/h3,5,11H,1,4,6-7H2,2H3,(H2,10,12)
InChIKeyFGKGHKCKYIECFA-UHFFFAOYSA-N
XLogP0.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide
CID 143453470
(3Z,5E)-N-(2-amino-2-oxoethyl)-7,7,7-trifluoro-6-methylhepta-3,5-dienamide
CID 144396226
2-(Phenylmethylamino)acetamide;yttrium
CID 58782657
N-[(2Z,4E,6E)-4-ethylidene-6-methylnona-2,6-dien-5-yl]-2-(methylamino)acetamide
CID 60083127
N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide
CID 88941229
N-[(3E)-3-methyl-5-methylidenehepta-3,6-dienyl]acetamide
CID 118687000
N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide
CID 122663069
N-(3-methylhepta-3,5-dienyl)acetamide
CID 123258405
2-[4-(2-Methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide
CID 123371564
2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide
CID 123468915
N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide
CID 123491190
N'-hex-3-enyl-N-propyloxamide
CID 123664727

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexa-3,5-dienylamino)acetamide?
The IUPAC name of 2-(5-methylhexa-3,5-dienylamino)acetamide (CID 139967857) is 2-(5-methylhexa-3,5-dienylamino)acetamide.
What is the SMILES notation for 2-(5-methylhexa-3,5-dienylamino)acetamide?
The canonical SMILES for 2-(5-methylhexa-3,5-dienylamino)acetamide is C=C(C)C=CCCNCC(N)=O.
What is the InChIKey of 2-(5-methylhexa-3,5-dienylamino)acetamide?
The InChIKey is FGKGHKCKYIECFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)5-3-4-6-11-7-9(10)12/h3,5,11H,1,4,6-7H2,2H3,(H2,10,12).
What are the key properties of 2-(5-methylhexa-3,5-dienylamino)acetamide?
2-(5-methylhexa-3,5-dienylamino)acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexa-3,5-dienylamino)acetamide is sourced from PubChem (CID 139967857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).