N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

C17H29N3 — CID 114537734

IUPACN-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCNC(CN1CC(C)N(C)C(C)C1)c1ccc(C)cc1
InChIInChI=1S/C17H29N3/c1-13-6-8-16(9-7-13)17(18-4)12-20-10-14(2)19(5)15(3)11-20/h6-9,14-15,17-18H,10-12H2,1-5H3
InChIKeyGONHCIHUHZTAJO-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.28
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (PubChem CID 114537734) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
PubChem CID114537734
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCNC(CN1CC(C)N(C)C(C)C1)c1ccc(C)cc1
InChIInChI=1S/C17H29N3/c1-13-6-8-16(9-7-13)17(18-4)12-20-10-14(2)19(5)15(3)11-20/h6-9,14-15,17-18H,10-12H2,1-5H3
InChIKeyGONHCIHUHZTAJO-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 63467078
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 83221696
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62331775
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55215794
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511502
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 63634255
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (CID 114537734) is N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is CNC(CN1CC(C)N(C)C(C)C1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is GONHCIHUHZTAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13-6-8-16(9-7-13)17(18-4)12-20-10-14(2)19(5)15(3)11-20/h6-9,14-15,17-18H,10-12H2,1-5H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114537734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).