N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine

C29H32N6O — CID 102173977

IUPACN'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESC=CCOc1ccnc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)c1
InChIInChI=1S/C29H32N6O/c1-2-19-36-29-12-16-33-28(20-29)24-35(23-27-11-5-8-15-32-27)18-17-34(21-25-9-3-6-13-30-25)22-26-10-4-7-14-31-26/h2-16,20H,1,17-19,21-24H2
InChIKeyDIMXQARMZKCYNW-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.54
Rot. Bonds14

About N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 102173977) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID102173977
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC NameN'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESC=CCOc1ccnc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)c1
InChIInChI=1S/C29H32N6O/c1-2-19-36-29-12-16-33-28(20-29)24-35(23-27-11-5-8-15-32-27)18-17-34(21-25-9-3-6-13-30-25)22-26-10-4-7-14-31-26/h2-16,20H,1,17-19,21-24H2
InChIKeyDIMXQARMZKCYNW-UHFFFAOYSA-N
XLogP4.54
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102448353
N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine
CID 62288081
2,4-bis(prop-2-enoxy)pyridine
CID 18761965
2-prop-2-enylpyridine
CID 3015241
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 102131469

Frequently Asked Questions

What is the IUPAC name of N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 102173977) is N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine is C=CCOc1ccnc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)c1.
What is the InChIKey of N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is DIMXQARMZKCYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O/c1-2-19-36-29-12-16-33-28(20-29)24-35(23-27-11-5-8-15-32-27)18-17-34(21-25-9-3-6-13-30-25)22-26-10-4-7-14-31-26/h2-16,20H,1,17-19,21-24H2.
What are the key properties of N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 480.62 g/mol, XLogP of 4.54, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 102173977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).