N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride

C8H16ClN3O — CID 170082293

IUPACN'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride
SMILESC=C(NCN(C)/C(Cl)=N/CC)OC
InChIInChI=1S/C8H16ClN3O/c1-5-10-8(9)12(3)6-11-7(2)13-4/h11H,2,5-6H2,1,3-4H3/b10-8+
InChIKeyJACZIGCZRUEVNE-CSKARUKUSA-N
MW205.69 g/mol
LogP1.20
Rot. Bonds5

About N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride

N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride (PubChem CID 170082293) has the molecular formula C8H16ClN3O and a molecular weight of 205.69 g/mol. Its IUPAC name is N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride.

Molecular Properties

Compound NameN'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride
PubChem CID170082293
Molecular FormulaC8H16ClN3O
Molecular Weight205.69 g/mol
Exact Mass205.10
IUPAC NameN'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride
SMILESC=C(NCN(C)/C(Cl)=N/CC)OC
InChIInChI=1S/C8H16ClN3O/c1-5-10-8(9)12(3)6-11-7(2)13-4/h11H,2,5-6H2,1,3-4H3/b10-8+
InChIKeyJACZIGCZRUEVNE-CSKARUKUSA-N
XLogP1.20
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol
CID 167265422
N,N-dibutyl-N'-ethylcarbamimidoyl chloride
CID 121218469
1-chloro-1-methoxyethene
CID 20553412
N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine
CID 145423239
2-(2-chloroprop-2-enyl)-1-ethylguanidine
CID 115672456
N-ethylethanimidoyl chloride;methanesulfonic acid
CID 173257928
[1-methoxyethenyl(methyl)amino]methanol
CID 58422591
N-methoxy-N-methylbut-1-en-2-amine
CID 156857821
N-ethyl-4-methoxybenzenecarboximidoyl chloride
CID 18948655
methyl N-but-1-en-2-ylethanimidate
CID 177320035
N-(methoxymethyl)-N,2,2-trimethylbutanamide
CID 58226288
methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
CID 60697941

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride?
The IUPAC name of N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride (CID 170082293) is N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride.
What is the SMILES notation for N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride?
The canonical SMILES for N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride is C=C(NCN(C)/C(Cl)=N/CC)OC.
What is the InChIKey of N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride?
The InChIKey is JACZIGCZRUEVNE-CSKARUKUSA-N. The full InChI is InChI=1S/C8H16ClN3O/c1-5-10-8(9)12(3)6-11-7(2)13-4/h11H,2,5-6H2,1,3-4H3/b10-8+.
What are the key properties of N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride?
N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride has a molecular weight of 205.69 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride is sourced from PubChem (CID 170082293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).