1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine

C19H17N7 — CID 174022397

IUPAC1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine
SMILESN#Cc1cccc(C/C=N/N=C(N)N/N=C/Cc2cccc(C#N)c2)c1
InChIInChI=1S/C19H17N7/c20-13-17-5-1-3-15(11-17)7-9-23-25-19(22)26-24-10-8-16-4-2-6-18(12-16)14-21/h1-6,9-12H,7-8H2,(H3,22,25,26)/b23-9+,24-10+
InChIKeyZJRYMJNRXGWDLV-WDBPGAOMSA-N
MW343.39 g/mol
LogP2.09
Rot. Bonds6

About 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine

1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine (PubChem CID 174022397) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine
PubChem CID174022397
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine
SMILESN#Cc1cccc(C/C=N/N=C(N)N/N=C/Cc2cccc(C#N)c2)c1
InChIInChI=1S/C19H17N7/c20-13-17-5-1-3-15(11-17)7-9-23-25-19(22)26-24-10-8-16-4-2-6-18(12-16)14-21/h1-6,9-12H,7-8H2,(H3,22,25,26)/b23-9+,24-10+
InChIKeyZJRYMJNRXGWDLV-WDBPGAOMSA-N
XLogP2.09
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

3-[amino(dideuterio)methyl]benzonitrile
CID 175940436
2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590711
2-[(3-cyanophenyl)methyl]-1-hexylguanidine
CID 111052214
N'-[(3-cyanophenyl)methyl]benzenecarboximidamide
CID 63175867
3-propylbenzonitrile
CID 18415311
3-(2-hydroxyethyl)benzonitrile
CID 14926727
2-[(3-cyanophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110911955
N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide
CID 63175813
2-[(3-cyanophenyl)methyl]-1,3-diethylguanidine
CID 110915223
[(E)-(3-cyanophenyl)methylideneamino]thiourea
CID 57461900
3-(phosphanylmethyl)benzonitrile
CID 143041927
5-(3-cyanophenyl)pent-3-enyl hydrogen carbonate
CID 70012438

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine (CID 174022397) is 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine is N#Cc1cccc(C/C=N/N=C(N)N/N=C/Cc2cccc(C#N)c2)c1.
What is the InChIKey of 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine?
The InChIKey is ZJRYMJNRXGWDLV-WDBPGAOMSA-N. The full InChI is InChI=1S/C19H17N7/c20-13-17-5-1-3-15(11-17)7-9-23-25-19(22)26-24-10-8-16-4-2-6-18(12-16)14-21/h1-6,9-12H,7-8H2,(H3,22,25,26)/b23-9+,24-10+.
What are the key properties of 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine?
1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine has a molecular weight of 343.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-2-(3-cyanophenyl)ethylideneamino]guanidine is sourced from PubChem (CID 174022397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).