N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide

C13H24N4 — CID 123260106

IUPACN'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide
SMILESC=CNC(/C=N/CC)=N\C=C/N(C)CCCC
InChIInChI=1S/C13H24N4/c1-5-8-10-17(4)11-9-16-13(15-7-3)12-14-6-2/h7,9,11-12H,3,5-6,8,10H2,1-2,4H3,(H,15,16)/b11-9-,14-12+
InChIKeyRHCJSMGXJPBTTH-ZUJJVJDASA-N
MW236.36 g/mol
LogP2.41
Rot. Bonds8

About N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide

N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide (PubChem CID 123260106) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide
PubChem CID123260106
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide
SMILESC=CNC(/C=N/CC)=N\C=C/N(C)CCCC
InChIInChI=1S/C13H24N4/c1-5-8-10-17(4)11-9-16-13(15-7-3)12-14-6-2/h7,9,11-12H,3,5-6,8,10H2,1-2,4H3,(H,15,16)/b11-9-,14-12+
InChIKeyRHCJSMGXJPBTTH-ZUJJVJDASA-N
XLogP2.41
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.41
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'}

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Related Compounds

3-methyl-2-[(3-methyl-1H-imidazole-1,3-diium-2-yl)methyl]-1H-imidazole-1,3-diium
CID 20776929
N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
CID 118970815
N-ethenyl-3-imino-N'-methylpropanimidamide
CID 123981980
N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine
CID 142918277
N-ethenyl-N,N'-dimethyl-3-(methylamino)propanimidamide
CID 144056690
ethane;N-ethenyl-N'-methylpropanimidamide
CID 144372151
Butyl-ethenyl-(methylaminomethylidene)azanium
CID 145156153
cyanoiminomethylideneazanide;2-ethyl-1-methyl-1H-imidazol-1-ium
CID 145727476
N-ethenyl-N'-methanimidoylbutanimidamide
CID 176532591
N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide
CID 176545866
ethane;N-ethenyl-N'-methylethanimidamide;propane
CID 176961852
1-butyl-3-methyl-1H-imidazole-1,3-diium
CID 4712652

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide?
The IUPAC name of N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide (CID 123260106) is N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide.
What is the SMILES notation for N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide?
The canonical SMILES for N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide is C=CNC(/C=N/CC)=N\C=C/N(C)CCCC.
What is the InChIKey of N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide?
The InChIKey is RHCJSMGXJPBTTH-ZUJJVJDASA-N. The full InChI is InChI=1S/C13H24N4/c1-5-8-10-17(4)11-9-16-13(15-7-3)12-14-6-2/h7,9,11-12H,3,5-6,8,10H2,1-2,4H3,(H,15,16)/b11-9-,14-12+.
What are the key properties of N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide?
N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide has a molecular weight of 236.36 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide is sourced from PubChem (CID 123260106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).