1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine

C9H15N5S — CID 70250571

IUPAC1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine
SMILESNC(N)=N/C(N)=N/CCCc1ccsc1
InChIInChI=1S/C9H15N5S/c10-8(11)14-9(12)13-4-1-2-7-3-5-15-6-7/h3,5-6H,1-2,4H2,(H6,10,11,12,13,14)
InChIKeyUQZUOIJRLDURQB-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.27
Rot. Bonds4

About 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine

1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine (PubChem CID 70250571) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine
PubChem CID70250571
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine
SMILESNC(N)=N/C(N)=N/CCCc1ccsc1
InChIInChI=1S/C9H15N5S/c10-8(11)14-9(12)13-4-1-2-7-3-5-15-6-7/h3,5-6H,1-2,4H2,(H6,10,11,12,13,14)
InChIKeyUQZUOIJRLDURQB-UHFFFAOYSA-N
XLogP0.27
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine (CID 70250571) is 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine is NC(N)=N/C(N)=N/CCCc1ccsc1.
What is the InChIKey of 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine?
The InChIKey is UQZUOIJRLDURQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c10-8(11)14-9(12)13-4-1-2-7-3-5-15-6-7/h3,5-6H,1-2,4H2,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine?
1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine has a molecular weight of 225.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine is sourced from PubChem (CID 70250571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).