N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine

C24H32N6O — CID 15905284

IUPACN'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESCCOC(c1ccccn1)N(CCNCc1ccccn1)CCNCc1ccccn1
InChIInChI=1S/C24H32N6O/c1-2-31-24(23-11-5-8-14-29-23)30(17-15-25-19-21-9-3-6-12-27-21)18-16-26-20-22-10-4-7-13-28-22/h3-14,24-26H,2,15-20H2,1H3
InChIKeyLARKIQYQFBYKES-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.79
Rot. Bonds14

About N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine

N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (PubChem CID 15905284) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
PubChem CID15905284
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESCCOC(c1ccccn1)N(CCNCc1ccccn1)CCNCc1ccccn1
InChIInChI=1S/C24H32N6O/c1-2-31-24(23-11-5-8-14-29-23)30(17-15-25-19-21-9-3-6-12-27-21)18-16-26-20-22-10-4-7-13-28-22/h3-14,24-26H,2,15-20H2,1H3
InChIKeyLARKIQYQFBYKES-UHFFFAOYSA-N
XLogP2.79
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557048
2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
CID 62583986
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62555011
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 55024068
N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62574145
N'-cyclopropyl-N'-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62554933

Frequently Asked Questions

What is the IUPAC name of N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (CID 15905284) is N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is CCOC(c1ccccn1)N(CCNCc1ccccn1)CCNCc1ccccn1.
What is the InChIKey of N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is LARKIQYQFBYKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-2-31-24(23-11-5-8-14-29-23)30(17-15-25-19-21-9-3-6-12-27-21)18-16-26-20-22-10-4-7-13-28-22/h3-14,24-26H,2,15-20H2,1H3.
What are the key properties of N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 420.56 g/mol, XLogP of 2.79, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 15905284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).