N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine

C18H28N6 — CID 102390835

IUPACN',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESNCCN(CCNCc1ccccn1)CCNCc1ccccn1
InChIInChI=1S/C18H28N6/c19-7-12-24(13-10-20-15-17-5-1-3-8-22-17)14-11-21-16-18-6-2-4-9-23-18/h1-6,8-9,20-21H,7,10-16,19H2
InChIKeyHRTINDXDSQHFBK-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.62
Rot. Bonds12

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

N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (PubChem CID 102390835) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
PubChem CID102390835
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESNCCN(CCNCc1ccccn1)CCNCc1ccccn1
InChIInChI=1S/C18H28N6/c19-7-12-24(13-10-20-15-17-5-1-3-8-22-17)14-11-21-16-18-6-2-4-9-23-18/h1-6,8-9,20-21H,7,10-16,19H2
InChIKeyHRTINDXDSQHFBK-UHFFFAOYSA-N
XLogP0.62
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N'-[(4-chlorophenyl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102163295
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784
N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine
CID 90798639
N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554005
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
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
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62555011
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526

Frequently Asked Questions

What is the IUPAC name of N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (CID 102390835) is N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is NCCN(CCNCc1ccccn1)CCNCc1ccccn1.
What is the InChIKey of N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is HRTINDXDSQHFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c19-7-12-24(13-10-20-15-17-5-1-3-8-22-17)14-11-21-16-18-6-2-4-9-23-18/h1-6,8-9,20-21H,7,10-16,19H2.
What are the key properties of N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 328.46 g/mol, XLogP of 0.62, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 102390835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).