1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride

C17H19ClN4 — CID 54607521

IUPAC1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride
SMILESC/N=C(\N)N/N=C(\C)c1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C17H18N4.ClH/c1-11(20-21-17(18)19-2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)16;/h3-9H,10H2,1-2H3,(H3,18,19,21);1H/b20-11+;
InChIKeyIERAWRYRAYYBLN-DOELHFPHSA-N
MW314.82 g/mol
LogP2.94
Rot. Bonds2

About 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride

1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride (PubChem CID 54607521) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride
PubChem CID54607521
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride
SMILESC/N=C(\N)N/N=C(\C)c1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C17H18N4.ClH/c1-11(20-21-17(18)19-2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)16;/h3-9H,10H2,1-2H3,(H3,18,19,21);1H/b20-11+;
InChIKeyIERAWRYRAYYBLN-DOELHFPHSA-N
XLogP2.94
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 52.94
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 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride?
The IUPAC name of 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride (CID 54607521) is 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride.
What is the SMILES notation for 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride?
The canonical SMILES for 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride is C/N=C(\N)N/N=C(\C)c1ccc2c(c1)Cc1ccccc1-2.Cl.
What is the InChIKey of 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride?
The InChIKey is IERAWRYRAYYBLN-DOELHFPHSA-N. The full InChI is InChI=1S/C17H18N4.ClH/c1-11(20-21-17(18)19-2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)16;/h3-9H,10H2,1-2H3,(H3,18,19,21);1H/b20-11+;.
What are the key properties of 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride?
1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(9H-fluoren-2-yl)ethylideneamino]-2-methylguanidine;hydrochloride is sourced from PubChem (CID 54607521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).