N,N'-dibenzylethane-1,2-diamine;dihydrochloride

C16H22Cl2N2 — CID 2728761

IUPACN,N'-dibenzylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1ccc(CNCCNCc2ccccc2)cc1
InChIInChI=1S/C16H20N2.2ClH/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14H2;2*1H
InChIKeyNZBGFGGNLREHFL-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.41
Rot. Bonds7

About N,N'-dibenzylethane-1,2-diamine;dihydrochloride

N,N'-dibenzylethane-1,2-diamine;dihydrochloride (PubChem CID 2728761) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N,N'-dibenzylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-dibenzylethane-1,2-diamine;dihydrochloride
PubChem CID2728761
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN,N'-dibenzylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1ccc(CNCCNCc2ccccc2)cc1
InChIInChI=1S/C16H20N2.2ClH/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14H2;2*1H
InChIKeyNZBGFGGNLREHFL-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N,N'-dibenzylethane-1,2-diamine;dihydrochloride (CID 2728761) is N,N'-dibenzylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N,N'-dibenzylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N,N'-dibenzylethane-1,2-diamine;dihydrochloride is Cl.Cl.c1ccc(CNCCNCc2ccccc2)cc1.
What is the InChIKey of N,N'-dibenzylethane-1,2-diamine;dihydrochloride?
The InChIKey is NZBGFGGNLREHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.2ClH/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14H2;2*1H.
What are the key properties of N,N'-dibenzylethane-1,2-diamine;dihydrochloride?
N,N'-dibenzylethane-1,2-diamine;dihydrochloride has a molecular weight of 313.27 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 2728761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).