(Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide

C13H30N2 — CID 142055545

IUPAC(Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\C.C/C=C\N/C=N/C.CC.CC
InChIInChI=1S/C5H10N2.C4H8.2C2H6/c1-3-4-7-5-6-2;1-3-4-2;2*1-2/h3-5H,1-2H3,(H,6,7);3-4H,1-2H3;2*1-2H3/b2*4-3-;;
InChIKeyOJYPGESRDBHASK-SUKNRPLKSA-N
MW214.40 g/mol
LogP4.40
Rot. Bonds2

About (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide

(Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 142055545) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID142055545
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name(Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\C.C/C=C\N/C=N/C.CC.CC
InChIInChI=1S/C5H10N2.C4H8.2C2H6/c1-3-4-7-5-6-2;1-3-4-2;2*1-2/h3-5H,1-2H3,(H,6,7);3-4H,1-2H3;2*1-2H3/b2*4-3-;;
InChIKeyOJYPGESRDBHASK-SUKNRPLKSA-N
XLogP4.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.40
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine
CID 58030691
1-prop-1-enyl-1H-imidazol-1-ium chloride
CID 86617951
1,2-dihydroimidazol-2-ide;(3E)-penta-1,3-diene;ruthenium(2+)
CID 87610662
1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine
CID 89205394
N-[(E)-but-1-enyl]-N'-methylmethanimidamide
CID 89294540
N'-(3-aminopropyl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 89672431
N'-butyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 89770656
N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 90248344
N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 90248445
N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 90322311
N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide
CID 90452805

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide (CID 142055545) is (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide is C/C=C\C.C/C=C\N/C=N/C.CC.CC.
What is the InChIKey of (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is OJYPGESRDBHASK-SUKNRPLKSA-N. The full InChI is InChI=1S/C5H10N2.C4H8.2C2H6/c1-3-4-7-5-6-2;1-3-4-2;2*1-2/h3-5H,1-2H3,(H,6,7);3-4H,1-2H3;2*1-2H3/b2*4-3-;;.
What are the key properties of (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide?
(Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 214.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 142055545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).