N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide

C9H18N4 — CID 90714976

IUPACN'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide
SMILESC=C/N=C(/N=C(C)N(C)C)N(C)C
InChIInChI=1S/C9H18N4/c1-7-10-9(13(5)6)11-8(2)12(3)4/h7H,1H2,2-6H3/b10-9-,11-8?
InChIKeyMZXGWRDMUSWKKQ-LRYJFLPDSA-N
MW182.27 g/mol
LogP1.03
Rot. Bonds1

About N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide

N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide (PubChem CID 90714976) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide
PubChem CID90714976
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide
SMILESC=C/N=C(/N=C(C)N(C)C)N(C)C
InChIInChI=1S/C9H18N4/c1-7-10-9(13(5)6)11-8(2)12(3)4/h7H,1H2,2-6H3/b10-9-,11-8?
InChIKeyMZXGWRDMUSWKKQ-LRYJFLPDSA-N
XLogP1.03
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.03
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide (CID 90714976) is N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide is C=C/N=C(/N=C(C)N(C)C)N(C)C.
What is the InChIKey of N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide?
The InChIKey is MZXGWRDMUSWKKQ-LRYJFLPDSA-N. The full InChI is InChI=1S/C9H18N4/c1-7-10-9(13(5)6)11-8(2)12(3)4/h7H,1H2,2-6H3/b10-9-,11-8?.
What are the key properties of N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide?
N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide has a molecular weight of 182.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-ethenyl-N,N-dimethylcarbamimidoyl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 90714976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).