N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine

C13H23N3O — CID 63264515

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
SMILESCOCCN(C)CCNCCc1cccnc1
InChIInChI=1S/C13H23N3O/c1-16(10-11-17-2)9-8-14-7-5-13-4-3-6-15-12-13/h3-4,6,12,14H,5,7-11H2,1-2H3
InChIKeyXCZDBBUDQHGNID-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.79
Rot. Bonds9

About N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine (PubChem CID 63264515) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
PubChem CID63264515
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
SMILESCOCCN(C)CCNCCc1cccnc1
InChIInChI=1S/C13H23N3O/c1-16(10-11-17-2)9-8-14-7-5-13-4-3-6-15-12-13/h3-4,6,12,14H,5,7-11H2,1-2H3
InChIKeyXCZDBBUDQHGNID-UHFFFAOYSA-N
XLogP0.79
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560243
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844461
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
N'-(2-methoxyethyl)-N'-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62844290
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine (CID 63264515) is N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine is COCCN(C)CCNCCc1cccnc1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine?
The InChIKey is XCZDBBUDQHGNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16(10-11-17-2)9-8-14-7-5-13-4-3-6-15-12-13/h3-4,6,12,14H,5,7-11H2,1-2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine has a molecular weight of 237.35 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63264515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).