N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide

C21H37N5 — CID 134091997

IUPACN'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide
SMILESCc1cc(C)c(N/C(=N/CCCCCCN)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C21H37N5/c1-17-15-18(2)20(19(3)16-17)24-21(23-10-8-6-5-7-9-22)26-13-11-25(4)12-14-26/h15-16H,5-14,22H2,1-4H3,(H,23,24)
InChIKeyHQDCUSGIIOIQKT-UHFFFAOYSA-N
MW359.56 g/mol
LogP3.15
Rot. Bonds7

About N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide

N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide (PubChem CID 134091997) has the molecular formula C21H37N5 and a molecular weight of 359.56 g/mol. Its IUPAC name is N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide
PubChem CID134091997
Molecular FormulaC21H37N5
Molecular Weight359.56 g/mol
Exact Mass359.30
IUPAC NameN'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide
SMILESCc1cc(C)c(N/C(=N/CCCCCCN)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C21H37N5/c1-17-15-18(2)20(19(3)16-17)24-21(23-10-8-6-5-7-9-22)26-13-11-25(4)12-14-26/h15-16H,5-14,22H2,1-4H3,(H,23,24)
InChIKeyHQDCUSGIIOIQKT-UHFFFAOYSA-N
XLogP3.15
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N'-(6-aminohexyl)-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 134091999
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-methylpiperazine-1-carbodithioate
CID 9456668
N'-(2-aminoethyl)-4-methyl-N-(2-methylsulfanylphenyl)piperazine-1-carboximidamide
CID 134088767
3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181
4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109147427
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
CID 108988438
4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide
CID 4125324
N-(3-acetylphenyl)-N'-[2-(2-aminoethylsulfanyl)ethyl]-4-methylpiperazine-1-carboximidamide
CID 134111392
N'-[2-(2-aminoethylsulfanyl)ethyl]-N-(1,3-benzodioxol-5-yl)-4-methylpiperazine-1-carboximidamide
CID 134111567
4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110801
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 108512226
1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
CID 47132999

Frequently Asked Questions

What is the IUPAC name of N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide (CID 134091997) is N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide is Cc1cc(C)c(N/C(=N/CCCCCCN)N2CCN(C)CC2)c(C)c1.
What is the InChIKey of N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide?
The InChIKey is HQDCUSGIIOIQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5/c1-17-15-18(2)20(19(3)16-17)24-21(23-10-8-6-5-7-9-22)26-13-11-25(4)12-14-26/h15-16H,5-14,22H2,1-4H3,(H,23,24).
What are the key properties of N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide?
N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide has a molecular weight of 359.56 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-aminohexyl)-4-methyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 134091997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).