2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride

C10H14ClN3 — CID 52946615

IUPAC2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc2c(c1)CCC2
InChIInChI=1S/C10H13N3.ClH/c11-10(12)13-9-5-4-7-2-1-3-8(7)6-9;/h4-6H,1-3H2,(H4,11,12,13);1H
InChIKeyXEMQDUBFSYXBPL-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.50
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride

2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride (PubChem CID 52946615) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride
PubChem CID52946615
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc2c(c1)CCC2
InChIInChI=1S/C10H13N3.ClH/c11-10(12)13-9-5-4-7-2-1-3-8(7)6-9;/h4-6H,1-3H2,(H4,11,12,13);1H
InChIKeyXEMQDUBFSYXBPL-UHFFFAOYSA-N
XLogP1.50
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride (CID 52946615) is 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride is Cl.NC(N)=Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride?
The InChIKey is XEMQDUBFSYXBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.ClH/c11-10(12)13-9-5-4-7-2-1-3-8(7)6-9;/h4-6H,1-3H2,(H4,11,12,13);1H.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride?
2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride has a molecular weight of 211.70 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride is sourced from PubChem (CID 52946615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).