2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide

C13H22N2O — CID 145277289

IUPAC2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide
SMILESC=C/C=C\C(CNC(=O)C(C)CCC)=N/C
InChIInChI=1S/C13H22N2O/c1-5-7-9-12(14-4)10-15-13(16)11(3)8-6-2/h5,7,9,11H,1,6,8,10H2,2-4H3,(H,15,16)/b9-7-,14-12+
InChIKeySFUKGKLEAGSIBI-LTPFSSFFSA-N
MW222.33 g/mol
LogP2.35
Rot. Bonds7

About 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide

2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide (PubChem CID 145277289) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide
PubChem CID145277289
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide
SMILESC=C/C=C\C(CNC(=O)C(C)CCC)=N/C
InChIInChI=1S/C13H22N2O/c1-5-7-9-12(14-4)10-15-13(16)11(3)8-6-2/h5,7,9,11H,1,6,8,10H2,2-4H3,(H,15,16)/b9-7-,14-12+
InChIKeySFUKGKLEAGSIBI-LTPFSSFFSA-N
XLogP2.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide?
The IUPAC name of 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide (CID 145277289) is 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide?
The canonical SMILES for 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide is C=C/C=C\C(CNC(=O)C(C)CCC)=N/C.
What is the InChIKey of 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide?
The InChIKey is SFUKGKLEAGSIBI-LTPFSSFFSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-7-9-12(14-4)10-15-13(16)11(3)8-6-2/h5,7,9,11H,1,6,8,10H2,2-4H3,(H,15,16)/b9-7-,14-12+.
What are the key properties of 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide?
2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide has a molecular weight of 222.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3Z)-2-methyliminohexa-3,5-dienyl]pentanamide is sourced from PubChem (CID 145277289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).