N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine

C13H24N4 — CID 101461919

IUPACN'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(CCN)Cc1ccccc1
InChIInChI=1S/C13H24N4/c14-6-8-16-9-11-17(10-7-15)12-13-4-2-1-3-5-13/h1-5,16H,6-12,14-15H2
InChIKeyGGEUAFYLRYNIHK-UHFFFAOYSA-N
MW236.36 g/mol
LogP-0.00
Rot. Bonds9

About N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine

N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 101461919) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
PubChem CID101461919
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(CCN)Cc1ccccc1
InChIInChI=1S/C13H24N4/c14-6-8-16-9-11-17(10-7-15)12-13-4-2-1-3-5-13/h1-5,16H,6-12,14-15H2
InChIKeyGGEUAFYLRYNIHK-UHFFFAOYSA-N
XLogP-0.00
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 5-0.00
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

N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 138740161
N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine
CID 91052537
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N-[2-[benzyl-[2-(benzylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 69031173
N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine
CID 70389657
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine (CID 101461919) is N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine is NCCNCCN(CCN)Cc1ccccc1.
What is the InChIKey of N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is GGEUAFYLRYNIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c14-6-8-16-9-11-17(10-7-15)12-13-4-2-1-3-5-13/h1-5,16H,6-12,14-15H2.
What are the key properties of N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine?
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of -0.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 101461919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).