2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride

C16H15ClN4 — CID 44531837

IUPAC2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C16H14N4.ClH/c17-16(18)20-19-10-11-5-6-13-8-7-12-3-1-2-4-14(12)15(13)9-11;/h1-10H,(H4,17,18,20);1H
InChIKeyZMKFPNWNBFZDJO-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.02
Rot. Bonds2

About 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride

2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride (PubChem CID 44531837) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride
PubChem CID44531837
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C16H14N4.ClH/c17-16(18)20-19-10-11-5-6-13-8-7-12-3-1-2-4-14(12)15(13)9-11;/h1-10H,(H4,17,18,20);1H
InChIKeyZMKFPNWNBFZDJO-UHFFFAOYSA-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_3', 'substructure': 'N/A'}

Analyze 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride?
The IUPAC name of 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride (CID 44531837) is 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride.
What is the SMILES notation for 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride?
The canonical SMILES for 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride is Cl.NC(N)=NN=Cc1ccc2ccc3ccccc3c2c1.
What is the InChIKey of 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride?
The InChIKey is ZMKFPNWNBFZDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4.ClH/c17-16(18)20-19-10-11-5-6-13-8-7-12-3-1-2-4-14(12)15(13)9-11;/h1-10H,(H4,17,18,20);1H.
What are the key properties of 2-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride?
2-(phenanthren-3-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-(phenanthren-3-ylmethylideneamino)guanidine;hydrochloride is sourced from PubChem (CID 44531837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).