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

C11H20N4 — CID 91052537

IUPACN'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(N)Cc1ccccc1
InChIInChI=1S/C11H20N4/c12-6-7-14-8-9-15(13)10-11-4-2-1-3-5-11/h1-5,14H,6-10,12-13H2
InChIKeyZJNUYFQVMNGXOY-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.09
Rot. Bonds7

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

N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 91052537) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine
PubChem CID91052537
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN(N)Cc1ccccc1
InChIInChI=1S/C11H20N4/c12-6-7-14-8-9-15(13)10-11-4-2-1-3-5-11/h1-5,14H,6-10,12-13H2
InChIKeyZJNUYFQVMNGXOY-UHFFFAOYSA-N
XLogP-0.09
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 138740161
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine
CID 70389657
acetic acid;N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine;gadolinium
CID 57348310
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
4-[amino(benzyl)amino]butanenitrile
CID 139772138
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N'-benzyl-N-[2-[benzyl-[2-(benzylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 69031173
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
CID 70451906

Frequently Asked Questions

What is the IUPAC name of N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine (CID 91052537) is N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine is NCCNCCN(N)Cc1ccccc1.
What is the InChIKey of N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is ZJNUYFQVMNGXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-6-7-14-8-9-15(13)10-11-4-2-1-3-5-11/h1-5,14H,6-10,12-13H2.
What are the key properties of N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine?
N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 91052537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).