N'-butyl-N-ethenyl-N-methylethanimidamide

C9H18N2 — CID 129095041

IUPACN'-butyl-N-ethenyl-N-methylethanimidamide
SMILESC=CN(C)/C(C)=N/CCCC
InChIInChI=1S/C9H18N2/c1-5-7-8-10-9(3)11(4)6-2/h6H,2,5,7-8H2,1,3-4H3/b10-9+
InChIKeyNLBQJKNVGIHRFW-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds4

About N'-butyl-N-ethenyl-N-methylethanimidamide

N'-butyl-N-ethenyl-N-methylethanimidamide (PubChem CID 129095041) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-butyl-N-ethenyl-N-methylethanimidamide.

Molecular Properties

Compound NameN'-butyl-N-ethenyl-N-methylethanimidamide
PubChem CID129095041
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-butyl-N-ethenyl-N-methylethanimidamide
SMILESC=CN(C)/C(C)=N/CCCC
InChIInChI=1S/C9H18N2/c1-5-7-8-10-9(3)11(4)6-2/h6H,2,5,7-8H2,1,3-4H3/b10-9+
InChIKeyNLBQJKNVGIHRFW-MDZDMXLPSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2-Trimethylimidazol-1-ium
CID 21650257
1,1-Dimethyl-2-propylimidazol-1-ium iodide
CID 23451453
1-Butyl-1,2-dimethylimidazol-1-ium
CID 68720630
1-Butyl-1,2-dimethylimidazol-1-ium chloride
CID 70001096
2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium
CID 88544386
N-ethenyl-N,N'-dimethylethanimidamide
CID 89289021
N-ethenyl-N'-methyl-N-propylpropanimidamide
CID 90299348
N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide
CID 90714976
N'-ethenyl-N,N-dimethylpropanimidamide
CID 117626263
N-ethenyl-N,N',3-trimethylbutanimidamide
CID 118581518
N-butyl-N'-ethenyl-N-methylethanimidamide
CID 123167564
N-ethenyl-N-methyl-N'-propan-2-ylethanimidamide
CID 124022665

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-ethenyl-N-methylethanimidamide?
The IUPAC name of N'-butyl-N-ethenyl-N-methylethanimidamide (CID 129095041) is N'-butyl-N-ethenyl-N-methylethanimidamide.
What is the SMILES notation for N'-butyl-N-ethenyl-N-methylethanimidamide?
The canonical SMILES for N'-butyl-N-ethenyl-N-methylethanimidamide is C=CN(C)/C(C)=N/CCCC.
What is the InChIKey of N'-butyl-N-ethenyl-N-methylethanimidamide?
The InChIKey is NLBQJKNVGIHRFW-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7-8-10-9(3)11(4)6-2/h6H,2,5,7-8H2,1,3-4H3/b10-9+.
What are the key properties of N'-butyl-N-ethenyl-N-methylethanimidamide?
N'-butyl-N-ethenyl-N-methylethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-ethenyl-N-methylethanimidamide is sourced from PubChem (CID 129095041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).