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

C15H24N4 — CID 63609906

IUPAC4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H24N4/c1-11-5-6-12(14(16)17)13(9-11)19-8-7-18(4)15(2,3)10-19/h5-6,9H,7-8,10H2,1-4H3,(H3,16,17)
InChIKeyVHTMRHYLYRONOO-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.81
Rot. Bonds2

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

4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 63609906) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
PubChem CID63609906
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H24N4/c1-11-5-6-12(14(16)17)13(9-11)19-8-7-18(4)15(2,3)10-19/h5-6,9H,7-8,10H2,1-4H3,(H3,16,17)
InChIKeyVHTMRHYLYRONOO-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

2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide
CID 62309167
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
2-(3-azaspiro[5.5]undecan-3-yl)-4-methylbenzenecarboximidamide
CID 62937438
4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496232
4-methyl-2-(1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62973944
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylbenzenecarboximidamide
CID 113335752
4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
CID 63779301
4-chloro-N'-hydroxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 77000793
2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930509
4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744111
2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide
CID 81202892
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide (CID 63609906) is 4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N1CCN(C)C(C)(C)C1.
What is the InChIKey of 4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is VHTMRHYLYRONOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11-5-6-12(14(16)17)13(9-11)19-8-7-18(4)15(2,3)10-19/h5-6,9H,7-8,10H2,1-4H3,(H3,16,17).
What are the key properties of 4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
4-methyl-2-(3,3,4-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 4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 63609906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).