N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride

C12H16Cl2N2 — CID 15106

IUPACN'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1cccc2ccccc12
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
LogP3.05
Rot. Bonds3

About N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride

N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride (PubChem CID 15106) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride
PubChem CID15106
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC NameN'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1cccc2ccccc12
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
XLogP3.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride (CID 15106) is N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNc1cccc2ccccc12.
What is the InChIKey of N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride?
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 N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride?
N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-1-ylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 15106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).