2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride

C17H17ClN4 — CID 44531570

IUPAC2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride
SMILESCC(=NN=C(N)N)c1ccc2ccc3ccccc3c2c1.Cl
InChIInChI=1S/C17H16N4.ClH/c1-11(20-21-17(18)19)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14;/h2-10H,1H3,(H4,18,19,21);1H
InChIKeyUHAYBZGUHBDOLW-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.41
Rot. Bonds2

About 2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride

2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride (PubChem CID 44531570) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride
PubChem CID44531570
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride
SMILESCC(=NN=C(N)N)c1ccc2ccc3ccccc3c2c1.Cl
InChIInChI=1S/C17H16N4.ClH/c1-11(20-21-17(18)19)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14;/h2-10H,1H3,(H4,18,19,21);1H
InChIKeyUHAYBZGUHBDOLW-UHFFFAOYSA-N
XLogP3.41
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.41
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-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride?
The IUPAC name of 2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride (CID 44531570) is 2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride.
What is the SMILES notation for 2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride?
The canonical SMILES for 2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride is CC(=NN=C(N)N)c1ccc2ccc3ccccc3c2c1.Cl.
What is the InChIKey of 2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride?
The InChIKey is UHAYBZGUHBDOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4.ClH/c1-11(20-21-17(18)19)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14;/h2-10H,1H3,(H4,18,19,21);1H.
What are the key properties of 2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride?
2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenanthren-3-ylethylideneamino)guanidine;hydrochloride is sourced from PubChem (CID 44531570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).