N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride

C11H24Cl4N4 — CID 11530463

IUPACN'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCNCCNCCc1ccccn1
InChIInChI=1S/C11H20N4.4ClH/c12-5-8-14-10-9-13-7-4-11-3-1-2-6-15-11;;;;/h1-3,6,13-14H,4-5,7-10,12H2;4*1H
InChIKeyKUBGESOCUKVERM-UHFFFAOYSA-N
MW354.15 g/mol
LogP1.45
Rot. Bonds8

About N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride

N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride (PubChem CID 11530463) has the molecular formula C11H24Cl4N4 and a molecular weight of 354.15 g/mol. Its IUPAC name is N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride.

Molecular Properties

Compound NameN'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
PubChem CID11530463
Molecular FormulaC11H24Cl4N4
Molecular Weight354.15 g/mol
Exact Mass352.08
IUPAC NameN'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCNCCNCCc1ccccn1
InChIInChI=1S/C11H20N4.4ClH/c12-5-8-14-10-9-13-7-4-11-3-1-2-6-15-11;;;;/h1-3,6,13-14H,4-5,7-10,12H2;4*1H
InChIKeyKUBGESOCUKVERM-UHFFFAOYSA-N
XLogP1.45
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol
CID 106310050
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine
CID 115245931
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
CID 134462825
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
CID 106400344
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 10590275

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride?
The IUPAC name of N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride (CID 11530463) is N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride.
What is the SMILES notation for N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride?
The canonical SMILES for N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride is Cl.Cl.Cl.Cl.NCCNCCNCCc1ccccn1.
What is the InChIKey of N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride?
The InChIKey is KUBGESOCUKVERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4.4ClH/c12-5-8-14-10-9-13-7-4-11-3-1-2-6-15-11;;;;/h1-3,6,13-14H,4-5,7-10,12H2;4*1H.
What are the key properties of N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride?
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride has a molecular weight of 354.15 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride is sourced from PubChem (CID 11530463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).