N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

C32H46N4 — CID 18441336

IUPACN'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCCc1cccc(CC)c1NCCCN(CCCNc1c(CC)cccc1CC)Cc1ccccn1
InChIInChI=1S/C32H46N4/c1-5-26-15-11-16-27(6-2)31(26)34-21-13-23-36(25-30-19-9-10-20-33-30)24-14-22-35-32-28(7-3)17-12-18-29(32)8-4/h9-12,15-20,34-35H,5-8,13-14,21-25H2,1-4H3
InChIKeyGDZXLQLCTFNMRN-UHFFFAOYSA-N
MW486.75 g/mol
LogP7.14
Rot. Bonds16

About N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 18441336) has the molecular formula C32H46N4 and a molecular weight of 486.75 g/mol. Its IUPAC name is N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID18441336
Molecular FormulaC32H46N4
Molecular Weight486.75 g/mol
Exact Mass486.37
IUPAC NameN'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCCc1cccc(CC)c1NCCCN(CCCNc1c(CC)cccc1CC)Cc1ccccn1
InChIInChI=1S/C32H46N4/c1-5-26-15-11-16-27(6-2)31(26)34-21-13-23-36(25-30-19-9-10-20-33-30)24-14-22-35-32-28(7-3)17-12-18-29(32)8-4/h9-12,15-20,34-35H,5-8,13-14,21-25H2,1-4H3
InChIKeyGDZXLQLCTFNMRN-UHFFFAOYSA-N
XLogP7.14
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.75
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide
CID 18441476
N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)ethane-1,2-diamine
CID 18441010
cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine;dibromide
CID 18441534
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride
CID 18441374
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;silver;dichloride
CID 18441373
1,8-bis[3-[bis(pyridin-2-ylmethyl)amino]propylamino]anthracene-9,10-dione
CID 132594516
2-N-(2-aminoethyl)-4-N,6-N-bis[3-[bis(pyridin-2-ylmethyl)amino]propyl]-1,3,5-triazine-2,4,6-triamine
CID 102530865
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 18441336) is N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is CCc1cccc(CC)c1NCCCN(CCCNc1c(CC)cccc1CC)Cc1ccccn1.
What is the InChIKey of N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is GDZXLQLCTFNMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4/c1-5-26-15-11-16-27(6-2)31(26)34-21-13-23-36(25-30-19-9-10-20-33-30)24-14-22-35-32-28(7-3)17-12-18-29(32)8-4/h9-12,15-20,34-35H,5-8,13-14,21-25H2,1-4H3.
What are the key properties of N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 486.75 g/mol, XLogP of 7.14, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 18441336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).