N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide

C15H25N5 — CID 116512785

IUPACN-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C15H25N5/c1-4-17-15(18-16)20-10-8-19(9-11-20)14-7-5-6-12(2)13(14)3/h5-7H,4,8-11,16H2,1-3H3,(H,17,18)
InChIKeyZRNFIQPWPLTBBA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.26
Rot. Bonds2

About N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide

N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide (PubChem CID 116512785) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide
PubChem CID116512785
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C15H25N5/c1-4-17-15(18-16)20-10-8-19(9-11-20)14-7-5-6-12(2)13(14)3/h5-7H,4,8-11,16H2,1-3H3,(H,17,18)
InChIKeyZRNFIQPWPLTBBA-UHFFFAOYSA-N
XLogP1.26
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

methyl 5-[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]pentanoate
CID 111238067
4-[[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111238187
methyl 3-[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]propanoate
CID 111238541
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
4-[[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111238186
4-(2,3-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methylpiperazine-1-carboximidamide
CID 111238333
N-[2-[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111238120
4-(2,3-dimethylphenyl)-N-ethyl-N'-[4-(2-methoxyethoxy)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111238420
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
4-(2,3-dimethylphenyl)-N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111238525

Frequently Asked Questions

What is the IUPAC name of N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide (CID 116512785) is N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide is CC/N=C(\NN)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide?
The InChIKey is ZRNFIQPWPLTBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-17-15(18-16)20-10-8-19(9-11-20)14-7-5-6-12(2)13(14)3/h5-7H,4,8-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide?
N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 116512785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).