2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine

C17H38N4O2 — CID 157048775

IUPAC2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine
SMILESCNCCOCCN1CCN(CCOCCNCC(C)C)CC1
InChIInChI=1S/C17H38N4O2/c1-17(2)16-19-5-13-23-15-11-21-8-6-20(7-9-21)10-14-22-12-4-18-3/h17-19H,4-16H2,1-3H3
InChIKeyVEOWCTCRKGXVOG-UHFFFAOYSA-N
MW330.52 g/mol
LogP0.10
Rot. Bonds14

About 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine

2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine (PubChem CID 157048775) has the molecular formula C17H38N4O2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine
PubChem CID157048775
Molecular FormulaC17H38N4O2
Molecular Weight330.52 g/mol
Exact Mass330.30
IUPAC Name2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine
SMILESCNCCOCCN1CCN(CCOCCNCC(C)C)CC1
InChIInChI=1S/C17H38N4O2/c1-17(2)16-19-5-13-23-15-11-21-8-6-20(7-9-21)10-14-22-12-4-18-3/h17-19H,4-16H2,1-3H3
InChIKeyVEOWCTCRKGXVOG-UHFFFAOYSA-N
XLogP0.10
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine (CID 157048775) is 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine is CNCCOCCN1CCN(CCOCCNCC(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine?
The InChIKey is VEOWCTCRKGXVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4O2/c1-17(2)16-19-5-13-23-15-11-21-8-6-20(7-9-21)10-14-22-12-4-18-3/h17-19H,4-16H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine?
2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine has a molecular weight of 330.52 g/mol, XLogP of 0.10, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 157048775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).