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

C11H15ClN4 — CID 70619369

IUPAC2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
SMILESC[C@H]1CC(=NN=C(N)N)c2ccccc21.Cl
InChIInChI=1S/C11H14N4.ClH/c1-7-6-10(14-15-11(12)13)9-5-3-2-4-8(7)9;/h2-5,7H,6H2,1H3,(H4,12,13,15);1H/t7-;/m0./s1
InChIKeyQQCWXOYDRUDLQT-FJXQXJEOSA-N
MW238.72 g/mol
LogP1.59
Rot. Bonds1

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

2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride (PubChem CID 70619369) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
PubChem CID70619369
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
SMILESC[C@H]1CC(=NN=C(N)N)c2ccccc21.Cl
InChIInChI=1S/C11H14N4.ClH/c1-7-6-10(14-15-11(12)13)9-5-3-2-4-8(7)9;/h2-5,7H,6H2,1H3,(H4,12,13,15);1H/t7-;/m0./s1
InChIKeyQQCWXOYDRUDLQT-FJXQXJEOSA-N
XLogP1.59
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride (CID 70619369) is 2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride is C[C@H]1CC(=NN=C(N)N)c2ccccc21.Cl.
What is the InChIKey of 2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride?
The InChIKey is QQCWXOYDRUDLQT-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c1-7-6-10(14-15-11(12)13)9-5-3-2-4-8(7)9;/h2-5,7H,6H2,1H3,(H4,12,13,15);1H/t7-;/m0./s1.
What are the key properties of 2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride?
2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 70619369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).