2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride

C16H15ClN4 — CID 44531578

IUPAC2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H14N4.ClH/c17-16(18)20-19-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15;/h1-10H,(H4,17,18,20);1H
InChIKeyRPBHLYONUNLEHP-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.02
Rot. Bonds2

About 2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride

2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride (PubChem CID 44531578) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride
PubChem CID44531578
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H14N4.ClH/c17-16(18)20-19-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15;/h1-10H,(H4,17,18,20);1H
InChIKeyRPBHLYONUNLEHP-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride?
The IUPAC name of 2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride (CID 44531578) is 2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride.
What is the SMILES notation for 2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride?
The canonical SMILES for 2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride is Cl.NC(N)=NN=Cc1cc2ccccc2c2ccccc12.
What is the InChIKey of 2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride?
The InChIKey is RPBHLYONUNLEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4.ClH/c17-16(18)20-19-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15;/h1-10H,(H4,17,18,20);1H.
What are the key properties of 2-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride?
2-(phenanthren-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-(phenanthren-9-ylmethylideneamino)guanidine;hydrochloride is sourced from PubChem (CID 44531578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).