(E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide

C11H14Cl2N4 — CID 67556034

IUPAC(E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide
SMILESCN(C)/C(N)=C/C(N)=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N4/c1-17(2)11(15)6-10(14)16-7-3-4-8(12)9(13)5-7/h3-6H,15H2,1-2H3,(H2,14,16)/b11-6+
InChIKeyBISNOVBNMMZOLK-IZZDOVSWSA-N
MW273.17 g/mol
LogP2.34
Rot. Bonds3

About (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide

(E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide (PubChem CID 67556034) has the molecular formula C11H14Cl2N4 and a molecular weight of 273.17 g/mol. Its IUPAC name is (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide
PubChem CID67556034
Molecular FormulaC11H14Cl2N4
Molecular Weight273.17 g/mol
Exact Mass272.06
IUPAC Name(E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide
SMILESCN(C)/C(N)=C/C(N)=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N4/c1-17(2)11(15)6-10(14)16-7-3-4-8(12)9(13)5-7/h3-6H,15H2,1-2H3,(H2,14,16)/b11-6+
InChIKeyBISNOVBNMMZOLK-IZZDOVSWSA-N
XLogP2.34
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.34
H-Bond Donors ≤ 52
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

(Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide
CID 5355729
methyl N'-[N'-(3,4-dichlorophenyl)carbamimidoyl]carbamimidothioate
CID 15068519
N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide
CID 63178907
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
N'-(4-chloro-3-methoxyphenyl)ethanimidamide
CID 107623277
2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine
CID 146728761
N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide
CID 107617114
4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol
CID 681130
2-(4-bromo-3-chlorophenyl)guanidine
CID 54562942
3-(3,4-dichlorophenyl)imino-1-[[(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]but-1-en-1-amine
CID 147364645
2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine
CID 122082463
1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;2,3-dihydroxybutanedioic acid
CID 50938838

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide?
The IUPAC name of (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide (CID 67556034) is (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide.
What is the SMILES notation for (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide?
The canonical SMILES for (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide is CN(C)/C(N)=C/C(N)=N/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide?
The InChIKey is BISNOVBNMMZOLK-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H14Cl2N4/c1-17(2)11(15)6-10(14)16-7-3-4-8(12)9(13)5-7/h3-6H,15H2,1-2H3,(H2,14,16)/b11-6+.
What are the key properties of (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide?
(E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide has a molecular weight of 273.17 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide is sourced from PubChem (CID 67556034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).