2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride

C20H25ClN4O2 — CID 24761588

IUPAC2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride
SMILESCCCOc1ccc2c(c1)C(=NN=C(N)N)c1cc(OCCC)ccc1-2.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-3-9-25-13-5-7-15-16-8-6-14(26-10-4-2)12-18(16)19(17(15)11-13)23-24-20(21)22;/h5-8,11-12H,3-4,9-10H2,1-2H3,(H4,21,22,24);1H
InChIKeyLKADEPWNMWHPAD-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.69
Rot. Bonds7

About 2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride

2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride (PubChem CID 24761588) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride
PubChem CID24761588
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride
SMILESCCCOc1ccc2c(c1)C(=NN=C(N)N)c1cc(OCCC)ccc1-2.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-3-9-25-13-5-7-15-16-8-6-14(26-10-4-2)12-18(16)19(17(15)11-13)23-24-20(21)22;/h5-8,11-12H,3-4,9-10H2,1-2H3,(H4,21,22,24);1H
InChIKeyLKADEPWNMWHPAD-UHFFFAOYSA-N
XLogP3.69
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride?
The IUPAC name of 2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride (CID 24761588) is 2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride is CCCOc1ccc2c(c1)C(=NN=C(N)N)c1cc(OCCC)ccc1-2.Cl.
What is the InChIKey of 2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride?
The InChIKey is LKADEPWNMWHPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.ClH/c1-3-9-25-13-5-7-15-16-8-6-14(26-10-4-2)12-18(16)19(17(15)11-13)23-24-20(21)22;/h5-8,11-12H,3-4,9-10H2,1-2H3,(H4,21,22,24);1H.
What are the key properties of 2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride?
2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,7-dipropoxyfluoren-9-ylidene)amino]guanidine;hydrochloride is sourced from PubChem (CID 24761588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).