1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride

C13H20Cl2N6 — CID 67721601

IUPAC1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CC(CC)C2=NN=C(N)N
InChIInChI=1S/C13H18N6.2ClH/c1-2-7-6-10-8(11(7)18-19-13(16)17)4-3-5-9(10)12(14)15;;/h3-5,7H,2,6H2,1H3,(H3,14,15)(H4,16,17,19);2*1H
InChIKeyXVJKUGBDKJZGPF-UHFFFAOYSA-N
MW331.25 g/mol
LogP1.37
Rot. Bonds3

About 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride

1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride (PubChem CID 67721601) has the molecular formula C13H20Cl2N6 and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
PubChem CID67721601
Molecular FormulaC13H20Cl2N6
Molecular Weight331.25 g/mol
Exact Mass330.11
IUPAC Name1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CC(CC)C2=NN=C(N)N
InChIInChI=1S/C13H18N6.2ClH/c1-2-7-6-10-8(11(7)18-19-13(16)17)4-3-5-9(10)12(14)15;;/h3-5,7H,2,6H2,1H3,(H3,14,15)(H4,16,17,19);2*1H
InChIKeyXVJKUGBDKJZGPF-UHFFFAOYSA-N
XLogP1.37
TPSA126.63 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 67799691
2-aminoguanidine;[(E)-4-[(3E)-7-carbamimidoyl-3-(diaminomethylidenehydrazinylidene)-1,2-dihydroinden-2-yl]but-2-enyl]-ethoxyphosphinic acid;(E)-1,4-dibromobut-2-ene;methane;1-oxo-2,3-dihydroindene-4-carbonitrile
CID 172974100
5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride
CID 18937912
3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide
CID 19042291
biphenylene-1,8-dicarboximidamide
CID 71696896
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide
CID 57164337
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110306

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The IUPAC name of 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride (CID 67721601) is 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride.
What is the SMILES notation for 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The canonical SMILES for 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1cccc2c1CC(CC)C2=NN=C(N)N.
What is the InChIKey of 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The InChIKey is XVJKUGBDKJZGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6.2ClH/c1-2-7-6-10-8(11(7)18-19-13(16)17)4-3-5-9(10)12(14)15;;/h3-5,7H,2,6H2,1H3,(H3,14,15)(H4,16,17,19);2*1H.
What are the key properties of 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride is sourced from PubChem (CID 67721601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).