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

C14H22Cl2N6 — CID 67799691

IUPAC1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CC(CCC)C2=NN=C(N)N
InChIInChI=1S/C14H20N6.2ClH/c1-2-4-8-7-11-9(12(8)19-20-14(17)18)5-3-6-10(11)13(15)16;;/h3,5-6,8H,2,4,7H2,1H3,(H3,15,16)(H4,17,18,20);2*1H
InChIKeyYFOFMUFSROOTBW-UHFFFAOYSA-N
MW345.28 g/mol
LogP1.76
Rot. Bonds4

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

1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride (PubChem CID 67799691) has the molecular formula C14H22Cl2N6 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
PubChem CID67799691
Molecular FormulaC14H22Cl2N6
Molecular Weight345.28 g/mol
Exact Mass344.13
IUPAC Name1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CC(CCC)C2=NN=C(N)N
InChIInChI=1S/C14H20N6.2ClH/c1-2-4-8-7-11-9(12(8)19-20-14(17)18)5-3-6-10(11)13(15)16;;/h3,5-6,8H,2,4,7H2,1H3,(H3,15,16)(H4,17,18,20);2*1H
InChIKeyYFOFMUFSROOTBW-UHFFFAOYSA-N
XLogP1.76
TPSA126.63 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 51.76
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-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 67721601
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
2-(dipropylamino)benzenecarboximidamide
CID 28601050
4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
CID 18965918
2-[methyl(pentan-2-yl)amino]benzenecarboximidamide
CID 43572161
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
biphenylene-1,8-dicarboximidamide
CID 71696896

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The IUPAC name of 1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride (CID 67799691) is 1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride.
What is the SMILES notation for 1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The canonical SMILES for 1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1cccc2c1CC(CCC)C2=NN=C(N)N.
What is the InChIKey of 1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The InChIKey is YFOFMUFSROOTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6.2ClH/c1-2-4-8-7-11-9(12(8)19-20-14(17)18)5-3-6-10(11)13(15)16;;/h3,5-6,8H,2,4,7H2,1H3,(H3,15,16)(H4,17,18,20);2*1H.
What are the key properties of 1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride has a molecular weight of 345.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidenehydrazinylidene)-2-propyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride is sourced from PubChem (CID 67799691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).