N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine

C23H30N6 — CID 102283031

IUPACN,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
SMILESc1ccc(CNCCCN(CCNCc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C23H30N6/c1-4-12-26-21(8-1)18-24-11-7-16-29(20-23-10-3-6-14-28-23)17-15-25-19-22-9-2-5-13-27-22/h1-6,8-10,12-14,24-25H,7,11,15-20H2
InChIKeyRPYGRPPLOAQXJO-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.64
Rot. Bonds13

About N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine

N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine (PubChem CID 102283031) has the molecular formula C23H30N6 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
PubChem CID102283031
Molecular FormulaC23H30N6
Molecular Weight390.53 g/mol
Exact Mass390.25
IUPAC NameN,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
SMILESc1ccc(CNCCCN(CCNCc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C23H30N6/c1-4-12-26-21(8-1)18-24-11-7-16-29(20-23-10-3-6-14-28-23)17-15-25-19-22-9-2-5-13-27-22/h1-6,8-10,12-14,24-25H,7,11,15-20H2
InChIKeyRPYGRPPLOAQXJO-UHFFFAOYSA-N
XLogP2.64
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102163295
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
N'-[(1-methylimidazol-2-yl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102196143
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 18441336
N'-[[4-[[2-(4-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 59750989
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

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine (CID 102283031) is N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine is c1ccc(CNCCCN(CCNCc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine?
The InChIKey is RPYGRPPLOAQXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-4-12-26-21(8-1)18-24-11-7-16-29(20-23-10-3-6-14-28-23)17-15-25-19-22-9-2-5-13-27-22/h1-6,8-10,12-14,24-25H,7,11,15-20H2.
What are the key properties of N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine?
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine has a molecular weight of 390.53 g/mol, XLogP of 2.64, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 102283031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).