2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride

C10H14ClN5 — CID 70619504

IUPAC2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=C1CCc2ccc(N)cc21
InChIInChI=1S/C10H13N5.ClH/c11-7-3-1-6-2-4-9(8(6)5-7)14-15-10(12)13;/h1,3,5H,2,4,11H2,(H4,12,13,15);1H
InChIKeyMJGHVOCFOFDZSN-UHFFFAOYSA-N
MW239.71 g/mol
LogP0.61
Rot. Bonds1

About 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride

2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride (PubChem CID 70619504) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride
PubChem CID70619504
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=C1CCc2ccc(N)cc21
InChIInChI=1S/C10H13N5.ClH/c11-7-3-1-6-2-4-9(8(6)5-7)14-15-10(12)13;/h1,3,5H,2,4,11H2,(H4,12,13,15);1H
InChIKeyMJGHVOCFOFDZSN-UHFFFAOYSA-N
XLogP0.61
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride?
The IUPAC name of 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride (CID 70619504) is 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride is Cl.NC(N)=NN=C1CCc2ccc(N)cc21.
What is the InChIKey of 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride?
The InChIKey is MJGHVOCFOFDZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5.ClH/c11-7-3-1-6-2-4-9(8(6)5-7)14-15-10(12)13;/h1,3,5H,2,4,11H2,(H4,12,13,15);1H.
What are the key properties of 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride?
2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,3-dihydroinden-1-ylidene)amino]guanidine;hydrochloride is sourced from PubChem (CID 70619504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).