2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine

C9H13N5 — CID 45034354

IUPAC2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine
SMILESNC/C(=N\N=C(N)N)c1ccccc1
InChIInChI=1S/C9H13N5/c10-6-8(13-14-9(11)12)7-4-2-1-3-5-7/h1-5H,6,10H2,(H4,11,12,14)/b13-8+
InChIKeyKHJHLKALFONJIR-MDWZMJQESA-N
MW191.24 g/mol
LogP-0.38
Rot. Bonds3

About 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine

2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine (PubChem CID 45034354) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine
PubChem CID45034354
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine
SMILESNC/C(=N\N=C(N)N)c1ccccc1
InChIInChI=1S/C9H13N5/c10-6-8(13-14-9(11)12)7-4-2-1-3-5-7/h1-5H,6,10H2,(H4,11,12,14)/b13-8+
InChIKeyKHJHLKALFONJIR-MDWZMJQESA-N
XLogP-0.38
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine?
The IUPAC name of 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine (CID 45034354) is 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine.
What is the SMILES notation for 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine?
The canonical SMILES for 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine is NC/C(=N\N=C(N)N)c1ccccc1.
What is the InChIKey of 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine?
The InChIKey is KHJHLKALFONJIR-MDWZMJQESA-N. The full InChI is InChI=1S/C9H13N5/c10-6-8(13-14-9(11)12)7-4-2-1-3-5-7/h1-5H,6,10H2,(H4,11,12,14)/b13-8+.
What are the key properties of 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine?
2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine has a molecular weight of 191.24 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine is sourced from PubChem (CID 45034354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).