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

C22H22Cl2N2 — CID 69046784

IUPACN,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1ccc2c(NCCNc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C22H20N2.2ClH/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-16-24-22-14-6-10-18-8-2-4-12-20(18)22;;/h1-14,23-24H,15-16H2;2*1H
InChIKeyFBDCKAPACFAXMP-UHFFFAOYSA-N
MW385.34 g/mol
LogP6.36
Rot. Bonds5

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

N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride (PubChem CID 69046784) has the molecular formula C22H22Cl2N2 and a molecular weight of 385.34 g/mol. Its IUPAC name is N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
PubChem CID69046784
Molecular FormulaC22H22Cl2N2
Molecular Weight385.34 g/mol
Exact Mass384.12
IUPAC NameN,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1ccc2c(NCCNc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C22H20N2.2ClH/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-16-24-22-14-6-10-18-8-2-4-12-20(18)22;;/h1-14,23-24H,15-16H2;2*1H
InChIKeyFBDCKAPACFAXMP-UHFFFAOYSA-N
XLogP6.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.34
LogP ≤ 56.36
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

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CID 139629187
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N-nonylnaphthalen-1-amine
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N-icosylnaphthalen-1-amine
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2-(naphthalen-1-ylamino)ethanesulfonamide
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N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
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N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
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N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
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(Z)-4-[2-(naphthalen-1-ylamino)ethylamino]-4-oxobut-2-enoic acid
CID 82036808
N-(3,3-diethoxypropyl)naphthalen-1-amine
CID 81094321
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CID 158525985

Frequently Asked Questions

What is the IUPAC name of N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride (CID 69046784) is N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride is Cl.Cl.c1ccc2c(NCCNc3cccc4ccccc34)cccc2c1.
What is the InChIKey of N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride?
The InChIKey is FBDCKAPACFAXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2.2ClH/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-16-24-22-14-6-10-18-8-2-4-12-20(18)22;;/h1-14,23-24H,15-16H2;2*1H.
What are the key properties of N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride?
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 69046784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).