3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine

C11H25N3O — CID 62574629

IUPAC3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCOCCCNCCN1CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-13-7-9-14(10-8-13)6-5-12-4-3-11-15-2/h12H,3-11H2,1-2H3
InChIKeyOOZGQFLLMQYBMT-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.14
Rot. Bonds7

About 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine

3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine (PubChem CID 62574629) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
PubChem CID62574629
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCOCCCNCCN1CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-13-7-9-14(10-8-13)6-5-12-4-3-11-15-2/h12H,3-11H2,1-2H3
InChIKeyOOZGQFLLMQYBMT-UHFFFAOYSA-N
XLogP-0.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine (CID 62574629) is 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine is COCCCNCCN1CCN(C)CC1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The InChIKey is OOZGQFLLMQYBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-13-7-9-14(10-8-13)6-5-12-4-3-11-15-2/h12H,3-11H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine?
3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62574629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).