2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride

C16H15ClN4 — CID 54610821

IUPAC2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14N4.ClH/c17-16(18)20-19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;/h1-10H,(H4,17,18,20);1H/b19-10-;
InChIKeyGTNCQNNRRPQVPR-PEZBNFGJSA-N
MW298.78 g/mol
LogP3.02
Rot. Bonds2

About 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride

2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride (PubChem CID 54610821) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride
PubChem CID54610821
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14N4.ClH/c17-16(18)20-19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;/h1-10H,(H4,17,18,20);1H/b19-10-;
InChIKeyGTNCQNNRRPQVPR-PEZBNFGJSA-N
XLogP3.02
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.02
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride (CID 54610821) is 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C\c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride?
The InChIKey is GTNCQNNRRPQVPR-PEZBNFGJSA-N. The full InChI is InChI=1S/C16H14N4.ClH/c17-16(18)20-19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;/h1-10H,(H4,17,18,20);1H/b19-10-;.
What are the key properties of 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride?
2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride has a molecular weight of 298.78 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-anthracen-9-ylmethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 54610821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).