N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine

C20H30N4 — CID 138740161

IUPACN'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H30N4/c21-11-12-22-13-14-23-15-16-24(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,22-23H,11-18,21H2
InChIKeyOOFVTLMCMAOBEH-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.83
Rot. Bonds12

About N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 138740161) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID138740161
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H30N4/c21-11-12-22-13-14-23-15-16-24(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,22-23H,11-18,21H2
InChIKeyOOFVTLMCMAOBEH-UHFFFAOYSA-N
XLogP1.83
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.83
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-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
N'-[2-[amino(benzyl)amino]ethyl]ethane-1,2-diamine
CID 91052537
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',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
CID 143178304
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
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',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
acetic acid;N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine;gadolinium
CID 57348310

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine (CID 138740161) is N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine is NCCNCCNCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is OOFVTLMCMAOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c21-11-12-22-13-14-23-15-16-24(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,22-23H,11-18,21H2.
What are the key properties of N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 326.49 g/mol, XLogP of 1.83, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 138740161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).