N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine

C15H25N3 — CID 116956962

IUPACN-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
SMILESCNC(CC1CNCCN1C)c1cccc(C)c1
InChIInChI=1S/C15H25N3/c1-12-5-4-6-13(9-12)15(16-2)10-14-11-17-7-8-18(14)3/h4-6,9,14-17H,7-8,10-11H2,1-3H3
InChIKeyQBHXXLVBUCCBBU-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.55
Rot. Bonds4

About N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine

N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine (PubChem CID 116956962) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
PubChem CID116956962
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
SMILESCNC(CC1CNCCN1C)c1cccc(C)c1
InChIInChI=1S/C15H25N3/c1-12-5-4-6-13(9-12)15(16-2)10-14-11-17-7-8-18(14)3/h4-6,9,14-17H,7-8,10-11H2,1-3H3
InChIKeyQBHXXLVBUCCBBU-UHFFFAOYSA-N
XLogP1.55
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine (CID 116956962) is N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine is CNC(CC1CNCCN1C)c1cccc(C)c1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine?
The InChIKey is QBHXXLVBUCCBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-5-4-6-13(9-12)15(16-2)10-14-11-17-7-8-18(14)3/h4-6,9,14-17H,7-8,10-11H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine?
N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 116956962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).