2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride

C13H19ClN4 — CID 160531205

IUPAC2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride
SMILESCC(=NN=C(N)N)c1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C13H18N4.ClH/c1-9(16-17-13(14)15)11-7-6-10-4-2-3-5-12(10)8-11;/h6-8H,2-5H2,1H3,(H4,14,15,17);1H
InChIKeyQVOFTUVREZRRBF-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.98
Rot. Bonds2

About 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride (PubChem CID 160531205) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride
PubChem CID160531205
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride
SMILESCC(=NN=C(N)N)c1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C13H18N4.ClH/c1-9(16-17-13(14)15)11-7-6-10-4-2-3-5-12(10)8-11;/h6-8H,2-5H2,1H3,(H4,14,15,17);1H
InChIKeyQVOFTUVREZRRBF-UHFFFAOYSA-N
XLogP1.98
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;hydrochloride
CID 54598572
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
2-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]guanidine
CID 9057972
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
tert-butyl-oxido-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]sulfanium
CID 175444003
1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea
CID 91942630
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
CID 54612215
1-(2,3-dihydro-1H-inden-5-yl)-N-morpholin-4-ylethanimine
CID 71943522
2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-hydroxyphenyl]ethylideneamino]guanidine;hydrate;dihydrochloride
CID 172943602
2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394
methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate
CID 116827968

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride (CID 160531205) is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride is CC(=NN=C(N)N)c1ccc2c(c1)CCCC2.Cl.
What is the InChIKey of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride?
The InChIKey is QVOFTUVREZRRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.ClH/c1-9(16-17-13(14)15)11-7-6-10-4-2-3-5-12(10)8-11;/h6-8H,2-5H2,1H3,(H4,14,15,17);1H.
What are the key properties of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride?
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride has a molecular weight of 266.78 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 160531205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).