N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

C12H21N3O — CID 63287766

IUPACN'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)Cc1ccncc1
InChIInChI=1S/C12H21N3O/c1-16-10-9-15(8-2-5-13)11-12-3-6-14-7-4-12/h3-4,6-7H,2,5,8-11,13H2,1H3
InChIKeyWLKDUHLEGQVZDA-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.88
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 63287766) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID63287766
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)Cc1ccncc1
InChIInChI=1S/C12H21N3O/c1-16-10-9-15(8-2-5-13)11-12-3-6-14-7-4-12/h3-4,6-7H,2,5,8-11,13H2,1H3
InChIKeyWLKDUHLEGQVZDA-UHFFFAOYSA-N
XLogP0.88
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine 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 N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 63287766) is N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is COCCN(CCCN)Cc1ccncc1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is WLKDUHLEGQVZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-16-10-9-15(8-2-5-13)11-12-3-6-14-7-4-12/h3-4,6-7H,2,5,8-11,13H2,1H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63287766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).