(E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide

C13H22N2 — CID 171629319

IUPAC(E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide
SMILESC/C=C/C.C=CC(=C)/C(C)=N/C=N/CC
InChIInChI=1S/C9H14N2.C4H8/c1-5-8(3)9(4)11-7-10-6-2;1-3-4-2/h5,7H,1,3,6H2,2,4H3;3-4H,1-2H3/b10-7+,11-9+;4-3+
InChIKeyVJASUCUFZYSLSZ-KFTRWGFTSA-N
MW206.33 g/mol
LogP3.82
Rot. Bonds4

About (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide

(E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide (PubChem CID 171629319) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide.

Molecular Properties

Compound Name(E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide
PubChem CID171629319
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide
SMILESC/C=C/C.C=CC(=C)/C(C)=N/C=N/CC
InChIInChI=1S/C9H14N2.C4H8/c1-5-8(3)9(4)11-7-10-6-2;1-3-4-2/h5,7H,1,3,6H2,2,4H3;3-4H,1-2H3/b10-7+,11-9+;4-3+
InChIKeyVJASUCUFZYSLSZ-KFTRWGFTSA-N
XLogP3.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine
CID 90957874
N'-methyl-N-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181531
N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide
CID 130243164
ethane;N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 141880734
ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218579
ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
CID 142218592
ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide
CID 142608345
N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide
CID 142962297
N-cyclohexa-2,4-dien-1-ylidene-N'-methylmethanimidamide;ethane
CID 143085196
N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
CID 143635653
N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
CID 143635668
N-[(4Z)-3-methylidenehepta-4,6-dien-2-ylidene]-N'-propylethanimidamide
CID 145606288

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide?
The IUPAC name of (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide (CID 171629319) is (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide.
What is the SMILES notation for (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide?
The canonical SMILES for (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide is C/C=C/C.C=CC(=C)/C(C)=N/C=N/CC.
What is the InChIKey of (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide?
The InChIKey is VJASUCUFZYSLSZ-KFTRWGFTSA-N. The full InChI is InChI=1S/C9H14N2.C4H8/c1-5-8(3)9(4)11-7-10-6-2;1-3-4-2/h5,7H,1,3,6H2,2,4H3;3-4H,1-2H3/b10-7+,11-9+;4-3+.
What are the key properties of (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide?
(E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide has a molecular weight of 206.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide is sourced from PubChem (CID 171629319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).