2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine

C16H27N3 — CID 63059430

IUPAC2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C16H27N3/c1-14(2)12-17-13-15-6-4-5-7-16(15)19-10-8-18(3)9-11-19/h4-7,14,17H,8-13H2,1-3H3
InChIKeyYCRZHVIQRHPPRQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine

2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 63059430) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID63059430
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C16H27N3/c1-14(2)12-17-13-15-6-4-5-7-16(15)19-10-8-18(3)9-11-19/h4-7,14,17H,8-13H2,1-3H3
InChIKeyYCRZHVIQRHPPRQ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine (CID 63059430) is 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine is CC(C)CNCc1ccccc1N1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is YCRZHVIQRHPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(2)12-17-13-15-6-4-5-7-16(15)19-10-8-18(3)9-11-19/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine?
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63059430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).