N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C11H18ClN3O — CID 79841429

IUPACN'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1ccncc1Cl
InChIInChI=1S/C11H18ClN3O/c1-15(7-5-13-6-8-16-2)11-3-4-14-9-10(11)12/h3-4,9,13H,5-8H2,1-2H3
InChIKeyDSANKSGPQQCPJG-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.41
Rot. Bonds7

About N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 79841429) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID79841429
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1ccncc1Cl
InChIInChI=1S/C11H18ClN3O/c1-15(7-5-13-6-8-16-2)11-3-4-14-9-10(11)12/h3-4,9,13H,5-8H2,1-2H3
InChIKeyDSANKSGPQQCPJG-UHFFFAOYSA-N
XLogP1.41
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-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'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 79841429) is N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCNCCN(C)c1ccncc1Cl.
What is the InChIKey of N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is DSANKSGPQQCPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-15(7-5-13-6-8-16-2)11-3-4-14-9-10(11)12/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 243.74 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79841429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).