N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide

C11H15Cl2N3 — CID 23563785

IUPACN'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide
SMILESC/C(N)=N/NCCCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2N3/c1-8(14)16-15-7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6,15H,3-4,7H2,1H3,(H2,14,16)
InChIKeyVHXFDXQVGBZUTQ-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.81
Rot. Bonds5

About N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide

N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide (PubChem CID 23563785) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide.

Molecular Properties

Compound NameN'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide
PubChem CID23563785
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC NameN'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide
SMILESC/C(N)=N/NCCCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2N3/c1-8(14)16-15-7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6,15H,3-4,7H2,1H3,(H2,14,16)
InChIKeyVHXFDXQVGBZUTQ-UHFFFAOYSA-N
XLogP2.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-dichlorophenyl)ethyl]-2-propylguanidine;hydroiodide
CID 111078654
2-(4-bromopentyl)-1,3-dichlorobenzene
CID 64509594
2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 51131579
3-(2,6-dichlorophenyl)propane-1-thiol
CID 83924894
N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060136
3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
CID 84734799
3-chloro-2-heptylphenol
CID 71090054
2-(2,6-dichlorophenyl)ethylazanium
CID 6951285
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol
CID 136828832
6-(2,6-dichlorophenyl)hexane-1-thiol
CID 10777932
3-chloro-2-propylphenol
CID 15747295

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide?
The IUPAC name of N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide (CID 23563785) is N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide.
What is the SMILES notation for N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide?
The canonical SMILES for N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide is C/C(N)=N/NCCCc1c(Cl)cccc1Cl.
What is the InChIKey of N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide?
The InChIKey is VHXFDXQVGBZUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c1-8(14)16-15-7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6,15H,3-4,7H2,1H3,(H2,14,16).
What are the key properties of N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide?
N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide has a molecular weight of 260.17 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide is sourced from PubChem (CID 23563785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).