N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide

C9H15N3 — CID 143349854

IUPACN-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
SMILESC=CC(/N=C/C)=C(/C)N/C=N/C
InChIInChI=1S/C9H15N3/c1-5-9(11-6-2)8(3)12-7-10-4/h5-7H,1H2,2-4H3,(H,10,12)/b9-8+,11-6+
InChIKeyXVGAGHOCBFVCBA-LJOQIOMMSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds4

About N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide

N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide (PubChem CID 143349854) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
PubChem CID143349854
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
SMILESC=CC(/N=C/C)=C(/C)N/C=N/C
InChIInChI=1S/C9H15N3/c1-5-9(11-6-2)8(3)12-7-10-4/h5-7H,1H2,2-4H3,(H,10,12)/b9-8+,11-6+
InChIKeyXVGAGHOCBFVCBA-LJOQIOMMSA-N
XLogP1.74
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
CID 143349853
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide
CID 143760163
N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
CID 166650843
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 143256855
1-ethenyl-3-ethylideneurea
CID 140971164
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
CID 146259127
(Z)-N-(methyliminomethyl)but-2-enamide
CID 126653439
N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
CID 89207277
N-ethylidene-N'-methylethanimidamide
CID 58796711
N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
CID 126593521
(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine
CID 142913403

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide (CID 143349854) is N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide is C=CC(/N=C/C)=C(/C)N/C=N/C.
What is the InChIKey of N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide?
The InChIKey is XVGAGHOCBFVCBA-LJOQIOMMSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-9(11-6-2)8(3)12-7-10-4/h5-7H,1H2,2-4H3,(H,10,12)/b9-8+,11-6+.
What are the key properties of N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide?
N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 143349854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).