3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide

C15H24N4 — CID 107110421

IUPAC3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H24N4/c1-10-6-5-7-13(15(16)17)14(10)19-8-11(2)18(4)12(3)9-19/h5-7,11-12H,8-9H2,1-4H3,(H3,16,17)
InChIKeyICPMGWQKESDLNP-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.81
Rot. Bonds2

About 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide

3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 107110421) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
PubChem CID107110421
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H24N4/c1-10-6-5-7-13(15(16)17)14(10)19-8-11(2)18(4)12(3)9-19/h5-7,11-12H,8-9H2,1-4H3,(H3,16,17)
InChIKeyICPMGWQKESDLNP-UHFFFAOYSA-N
XLogP1.81
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.81
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

3-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 107110319
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107110287
3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
CID 107110466
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide
CID 107109980
4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide
CID 114538182
2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110480
3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107110675
ethyl 2-amino-3-(3,4,5-trimethylpiperazin-1-yl)benzoate
CID 114539655
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473
2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43199936
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107110265
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide (CID 107110421) is 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N1CC(C)N(C)C(C)C1.
What is the InChIKey of 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is ICPMGWQKESDLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-10-6-5-7-13(15(16)17)14(10)19-8-11(2)18(4)12(3)9-19/h5-7,11-12H,8-9H2,1-4H3,(H3,16,17).
What are the key properties of 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide?
3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 260.38 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107110421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).