2-azaniumylethyl(naphthalen-1-yl)azanium dichloride

C12H16Cl2N2 — CID 14718438

IUPAC2-azaniumylethyl(naphthalen-1-yl)azanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC[NH2+]c1cccc2ccccc12
InChIInChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H
InChIKeyMZNYWPRCVDMOJG-UHFFFAOYSA-N
MW259.18 g/mol
LogP-5.72
Rot. Bonds3

About 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride

2-azaniumylethyl(naphthalen-1-yl)azanium dichloride (PubChem CID 14718438) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride.

Molecular Properties

Compound Name2-azaniumylethyl(naphthalen-1-yl)azanium dichloride
PubChem CID14718438
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name2-azaniumylethyl(naphthalen-1-yl)azanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC[NH2+]c1cccc2ccccc12
InChIInChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H
InChIKeyMZNYWPRCVDMOJG-UHFFFAOYSA-N
XLogP-5.72
TPSA44.25 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 5-5.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride?
The IUPAC name of 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride (CID 14718438) is 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride.
What is the SMILES notation for 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride?
The canonical SMILES for 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride is [Cl-].[Cl-].[NH3+]CC[NH2+]c1cccc2ccccc12.
What is the InChIKey of 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride?
The InChIKey is MZNYWPRCVDMOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H.
What are the key properties of 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride?
2-azaniumylethyl(naphthalen-1-yl)azanium dichloride has a molecular weight of 259.18 g/mol, XLogP of -5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl(naphthalen-1-yl)azanium dichloride is sourced from PubChem (CID 14718438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).