N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide

C9H16N4 — CID 123751085

IUPACN-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide
SMILESCC=N/N=C\C/N=C/NC(C)=CC
InChIInChI=1S/C9H16N4/c1-4-9(3)11-8-10-6-7-13-12-5-2/h4-5,7-8H,6H2,1-3H3,(H,10,11)/b9-4?,12-5?,13-7-
InChIKeyLOTLPDRWUVEHSS-ZWUSZFPNSA-N
MW180.25 g/mol
LogP1.60
Rot. Bonds5

About N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide

N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide (PubChem CID 123751085) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide
PubChem CID123751085
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide
SMILESCC=N/N=C\C/N=C/NC(C)=CC
InChIInChI=1S/C9H16N4/c1-4-9(3)11-8-10-6-7-13-12-5-2/h4-5,7-8H,6H2,1-3H3,(H,10,11)/b9-4?,12-5?,13-7-
InChIKeyLOTLPDRWUVEHSS-ZWUSZFPNSA-N
XLogP1.60
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
CID 2724950
[3-(Dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
CID 78291301
N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide
CID 90453570
N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 90809121
[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium
CID 90850662
N'-[(Z)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 123160255
N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide
CID 123195959
N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide
CID 123493596
(3Z)-1-[(Z)-but-2-en-2-yl]-3-ethylidene-2-methylguanidine
CID 141794894
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane
CID 142035471
[(E)-2-(dimethylazaniumylidenemethylamino)-3-(methylamino)prop-2-enylidene]-dimethylazanium
CID 143740484
[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane
CID 143740498

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide?
The IUPAC name of N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide (CID 123751085) is N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide.
What is the SMILES notation for N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide?
The canonical SMILES for N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide is CC=N/N=C\C/N=C/NC(C)=CC.
What is the InChIKey of N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide?
The InChIKey is LOTLPDRWUVEHSS-ZWUSZFPNSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-9(3)11-8-10-6-7-13-12-5-2/h4-5,7-8H,6H2,1-3H3,(H,10,11)/b9-4?,12-5?,13-7-.
What are the key properties of N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide?
N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide has a molecular weight of 180.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide is sourced from PubChem (CID 123751085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).