N-penta-1,3-dien-2-yl-N'-phenylethanimidamide

C13H16N2 — CID 123975051

IUPACN-penta-1,3-dien-2-yl-N'-phenylethanimidamide
SMILESC=C(C=CC)N/C(C)=N/c1ccccc1
InChIInChI=1S/C13H16N2/c1-4-8-11(2)14-12(3)15-13-9-6-5-7-10-13/h4-10H,2H2,1,3H3,(H,14,15)
InChIKeyIKEFUHMLMSFTDM-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.42
Rot. Bonds3

About N-penta-1,3-dien-2-yl-N'-phenylethanimidamide

N-penta-1,3-dien-2-yl-N'-phenylethanimidamide (PubChem CID 123975051) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-penta-1,3-dien-2-yl-N'-phenylethanimidamide.

Molecular Properties

Compound NameN-penta-1,3-dien-2-yl-N'-phenylethanimidamide
PubChem CID123975051
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-penta-1,3-dien-2-yl-N'-phenylethanimidamide
SMILESC=C(C=CC)N/C(C)=N/c1ccccc1
InChIInChI=1S/C13H16N2/c1-4-8-11(2)14-12(3)15-13-9-6-5-7-10-13/h4-10H,2H2,1,3H3,(H,14,15)
InChIKeyIKEFUHMLMSFTDM-UHFFFAOYSA-N
XLogP3.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-penta-1,3-dien-2-yl-N'-phenylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethylgallane;N,N'-diphenylethanimidamide
CID 173308791
N-acetyl-N'-phenylcarbamimidoyl bromide
CID 137297946
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
3-phenyliminobutan-2-one
CID 12823040
N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
CID 144591931
(E)-N,4-diphenylbut-3-en-2-imine
CID 5382915
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
N'-methyl-2-[[(3E)-penta-1,3-dien-2-yl]amino]benzenecarboximidamide
CID 89091558
3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide
CID 173491524
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
dibromoiron;2-N,3-N-diphenylbutane-2,3-diimine
CID 164938268

Frequently Asked Questions

What is the IUPAC name of N-penta-1,3-dien-2-yl-N'-phenylethanimidamide?
The IUPAC name of N-penta-1,3-dien-2-yl-N'-phenylethanimidamide (CID 123975051) is N-penta-1,3-dien-2-yl-N'-phenylethanimidamide.
What is the SMILES notation for N-penta-1,3-dien-2-yl-N'-phenylethanimidamide?
The canonical SMILES for N-penta-1,3-dien-2-yl-N'-phenylethanimidamide is C=C(C=CC)N/C(C)=N/c1ccccc1.
What is the InChIKey of N-penta-1,3-dien-2-yl-N'-phenylethanimidamide?
The InChIKey is IKEFUHMLMSFTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-8-11(2)14-12(3)15-13-9-6-5-7-10-13/h4-10H,2H2,1,3H3,(H,14,15).
What are the key properties of N-penta-1,3-dien-2-yl-N'-phenylethanimidamide?
N-penta-1,3-dien-2-yl-N'-phenylethanimidamide has a molecular weight of 200.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-1,3-dien-2-yl-N'-phenylethanimidamide is sourced from PubChem (CID 123975051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).