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

C12H16Cl2N2 — CID 174599012

IUPAC1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride
SMILESCC(N)Nc1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C12H14N2.2ClH/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12;;/h2-9,14H,13H2,1H3;2*1H
InChIKeyDBSBFBRLUSKQMJ-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.40
Rot. Bonds2

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

1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride (PubChem CID 174599012) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride.

Molecular Properties

Compound Name1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride
PubChem CID174599012
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride
SMILESCC(N)Nc1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C12H14N2.2ClH/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12;;/h2-9,14H,13H2,1H3;2*1H
InChIKeyDBSBFBRLUSKQMJ-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-1-ylamino)propan-1-ol
CID 19963404
2-(naphthalen-1-ylamino)propanenitrile
CID 57213700
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CID 43757471
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
N-[1-(2-bromophenyl)ethyl]naphthalen-1-amine
CID 43111727
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
N-(1-cyclobutylpropan-2-yl)naphthalen-1-amine
CID 113489674
N-[1-(2,5-dimethylphenyl)ethyl]naphthalen-1-amine
CID 43110204
N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
CID 43108042
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
N-(1-cyclopropylpropyl)naphthalen-1-amine
CID 64919441
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732

Frequently Asked Questions

What is the IUPAC name of 1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride?
The IUPAC name of 1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride (CID 174599012) is 1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride.
What is the SMILES notation for 1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride?
The canonical SMILES for 1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride is CC(N)Nc1cccc2ccccc12.Cl.Cl.
What is the InChIKey of 1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride?
The InChIKey is DBSBFBRLUSKQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2ClH/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12;;/h2-9,14H,13H2,1H3;2*1H.
What are the key properties of 1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride?
1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-naphthalen-1-ylethane-1,1-diamine;dihydrochloride is sourced from PubChem (CID 174599012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).