disodium;N,N'-diphenylethane-1,2-diamine;hydride

C14H18N2Na2 — CID 173210842

IUPACdisodium;N,N'-diphenylethane-1,2-diamine;hydride
SMILES[H-].[H-].[Na+].[Na+].c1ccc(NCCNc2ccccc2)cc1
InChIInChI=1S/C14H16N2.2Na.2H/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;;;;/h1-10,15-16H,11-12H2;;;;/q;2*+1;2*-1
InChIKeyQRBVUJHFGLOQDZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-2.56
Rot. Bonds5

About disodium;N,N'-diphenylethane-1,2-diamine;hydride

disodium;N,N'-diphenylethane-1,2-diamine;hydride (PubChem CID 173210842) has the molecular formula C14H18N2Na2 and a molecular weight of 260.29 g/mol. Its IUPAC name is disodium;N,N'-diphenylethane-1,2-diamine;hydride.

Molecular Properties

Compound Namedisodium;N,N'-diphenylethane-1,2-diamine;hydride
PubChem CID173210842
Molecular FormulaC14H18N2Na2
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namedisodium;N,N'-diphenylethane-1,2-diamine;hydride
SMILES[H-].[H-].[Na+].[Na+].c1ccc(NCCNc2ccccc2)cc1
InChIInChI=1S/C14H16N2.2Na.2H/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;;;;/h1-10,15-16H,11-12H2;;;;/q;2*+1;2*-1
InChIKeyQRBVUJHFGLOQDZ-UHFFFAOYSA-N
XLogP-2.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-2.56
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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Related Compounds

N'-iodo-N-phenylethane-1,2-diamine
CID 134342135
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-(2-iodoethyl)aniline
CID 11184197
N-propylaniline
CID 12153
N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline
CID 25130926
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N'-phenylheptane-1,7-diamine
CID 61149618
ethane;N'-phenylethane-1,2-diamine
CID 91048519
N-(2-anilinoethyl)carbamoyl chloride
CID 89292343
ethane;N-(2-phenylethyl)aniline
CID 91194556
N-(2-anilinoethyl)methanesulfonamide;hydrate
CID 139980543
10-anilinodecan-1-ol
CID 10955954

Frequently Asked Questions

What is the IUPAC name of disodium;N,N'-diphenylethane-1,2-diamine;hydride?
The IUPAC name of disodium;N,N'-diphenylethane-1,2-diamine;hydride (CID 173210842) is disodium;N,N'-diphenylethane-1,2-diamine;hydride.
What is the SMILES notation for disodium;N,N'-diphenylethane-1,2-diamine;hydride?
The canonical SMILES for disodium;N,N'-diphenylethane-1,2-diamine;hydride is [H-].[H-].[Na+].[Na+].c1ccc(NCCNc2ccccc2)cc1.
What is the InChIKey of disodium;N,N'-diphenylethane-1,2-diamine;hydride?
The InChIKey is QRBVUJHFGLOQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.2Na.2H/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;;;;/h1-10,15-16H,11-12H2;;;;/q;2*+1;2*-1.
What are the key properties of disodium;N,N'-diphenylethane-1,2-diamine;hydride?
disodium;N,N'-diphenylethane-1,2-diamine;hydride has a molecular weight of 260.29 g/mol, XLogP of -2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N,N'-diphenylethane-1,2-diamine;hydride is sourced from PubChem (CID 173210842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).