N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C14H25N3O — CID 62560243

IUPACN-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCOCCCNCCN(C)Cc1cccnc1
InChIInChI=1S/C14H25N3O/c1-3-18-11-5-8-15-9-10-17(2)13-14-6-4-7-16-12-14/h4,6-7,12,15H,3,5,8-11,13H2,1-2H3
InChIKeyJZDXRNUFDBQZDI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.53
Rot. Bonds10

About N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62560243) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID62560243
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCCOCCCNCCN(C)Cc1cccnc1
InChIInChI=1S/C14H25N3O/c1-3-18-11-5-8-15-9-10-17(2)13-14-6-4-7-16-12-14/h4,6-7,12,15H,3,5,8-11,13H2,1-2H3
InChIKeyJZDXRNUFDBQZDI-UHFFFAOYSA-N
XLogP1.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-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

Related Compounds

N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556922
N-(3-ethoxypropyl)-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62574333
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
N'-methyl-N'-(pyridin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559877
N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62561727
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63264515
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N'-(furan-3-ylmethyl)-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558554
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 62560243) is N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is CCOCCCNCCN(C)Cc1cccnc1.
What is the InChIKey of N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is JZDXRNUFDBQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-18-11-5-8-15-9-10-17(2)13-14-6-4-7-16-12-14/h4,6-7,12,15H,3,5,8-11,13H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).