1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride

C13H16ClN5 — CID 155663525

IUPAC1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride
SMILESCl.N/C(N=CC(N)N)=N\c1ccc2ccccc2c1
InChIInChI=1S/C13H15N5.ClH/c14-12(15)8-17-13(16)18-11-6-5-9-3-1-2-4-10(9)7-11;/h1-8,12H,14-15H2,(H2,16,18);1H
InChIKeyZKPYWMBDCJAYFC-UHFFFAOYSA-N
MW277.76 g/mol
LogP1.52
Rot. Bonds2

About 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride

1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride (PubChem CID 155663525) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride
PubChem CID155663525
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride
SMILESCl.N/C(N=CC(N)N)=N\c1ccc2ccccc2c1
InChIInChI=1S/C13H15N5.ClH/c14-12(15)8-17-13(16)18-11-6-5-9-3-1-2-4-10(9)7-11;/h1-8,12H,14-15H2,(H2,16,18);1H
InChIKeyZKPYWMBDCJAYFC-UHFFFAOYSA-N
XLogP1.52
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-naphthalen-2-ylcyclopropanecarboximidamide
CID 63176582
4-methyl-N'-naphthalen-2-ylbenzenecarboximidamide
CID 12647669
N'-naphthalen-2-ylcyclohexanecarboximidamide
CID 55158430
2-naphthalen-2-yliminoacetic acid
CID 154177451
N-anthracen-2-yl-2-methylpropan-1-imine
CID 23369259
naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene
CID 72565674
amino(naphthalen-2-yl)methanol
CID 57110079
N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride
CID 160507416
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
4-(naphthalen-2-ylmethylideneamino)benzamide
CID 791141
N-naphthalen-2-ylmorpholine-4-carboximidoyl chloride
CID 71370220
2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol
CID 177390452

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride?
The IUPAC name of 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride (CID 155663525) is 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride.
What is the SMILES notation for 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride?
The canonical SMILES for 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride is Cl.N/C(N=CC(N)N)=N\c1ccc2ccccc2c1.
What is the InChIKey of 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride?
The InChIKey is ZKPYWMBDCJAYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5.ClH/c14-12(15)8-17-13(16)18-11-6-5-9-3-1-2-4-10(9)7-11;/h1-8,12H,14-15H2,(H2,16,18);1H.
What are the key properties of 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride?
1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diaminoethylidene)-2-naphthalen-2-ylguanidine;hydrochloride is sourced from PubChem (CID 155663525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).