2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine

C13H29N3O — CID 57057662

IUPAC2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine
SMILESCCCC(CN)OCCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-3-5-13(12-14)17-11-4-6-16-9-7-15(2)8-10-16/h13H,3-12,14H2,1-2H3
InChIKeyPSPGQWFSHIGJGH-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds8

About 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine

2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine (PubChem CID 57057662) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine
PubChem CID57057662
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine
SMILESCCCC(CN)OCCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-3-5-13(12-14)17-11-4-6-16-9-7-15(2)8-10-16/h13H,3-12,14H2,1-2H3
InChIKeyPSPGQWFSHIGJGH-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine (CID 57057662) is 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine is CCCC(CN)OCCCN1CCN(C)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine?
The InChIKey is PSPGQWFSHIGJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-3-5-13(12-14)17-11-4-6-16-9-7-15(2)8-10-16/h13H,3-12,14H2,1-2H3.
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine?
2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine is sourced from PubChem (CID 57057662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).