3-[bis(3-methoxypropyl)amino]propan-1-ol

C11H25NO3 — CID 19077495

IUPAC3-[bis(3-methoxypropyl)amino]propan-1-ol
SMILESCOCCCN(CCCO)CCCOC
InChIInChI=1S/C11H25NO3/c1-14-10-4-7-12(6-3-9-13)8-5-11-15-2/h13H,3-11H2,1-2H3
InChIKeyQXAOMOGVEDGHGW-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.74
Rot. Bonds11

About 3-[bis(3-methoxypropyl)amino]propan-1-ol

3-[bis(3-methoxypropyl)amino]propan-1-ol (PubChem CID 19077495) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-[bis(3-methoxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[bis(3-methoxypropyl)amino]propan-1-ol
PubChem CID19077495
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-[bis(3-methoxypropyl)amino]propan-1-ol
SMILESCOCCCN(CCCO)CCCOC
InChIInChI=1S/C11H25NO3/c1-14-10-4-7-12(6-3-9-13)8-5-11-15-2/h13H,3-11H2,1-2H3
InChIKeyQXAOMOGVEDGHGW-UHFFFAOYSA-N
XLogP0.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[bis(3-methoxypropyl)amino]propan-1-ol 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 3-[bis(3-methoxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[bis(3-methoxypropyl)amino]propan-1-ol (CID 19077495) is 3-[bis(3-methoxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[bis(3-methoxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[bis(3-methoxypropyl)amino]propan-1-ol is COCCCN(CCCO)CCCOC.
What is the InChIKey of 3-[bis(3-methoxypropyl)amino]propan-1-ol?
The InChIKey is QXAOMOGVEDGHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-14-10-4-7-12(6-3-9-13)8-5-11-15-2/h13H,3-11H2,1-2H3.
What are the key properties of 3-[bis(3-methoxypropyl)amino]propan-1-ol?
3-[bis(3-methoxypropyl)amino]propan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methoxypropyl)amino]propan-1-ol is sourced from PubChem (CID 19077495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).