N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide

C13H22N4S — CID 18356568

IUPACN'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide
SMILESC/C(N)=N\CCCc1ccc(CC/N=C(\C)N)s1
InChIInChI=1S/C13H22N4S/c1-10(14)16-8-3-4-12-5-6-13(18-12)7-9-17-11(2)15/h5-6H,3-4,7-9H2,1-2H3,(H2,14,16)(H2,15,17)
InChIKeyCMQDKJOOHSVNKD-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.98
Rot. Bonds7

About N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide

N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide (PubChem CID 18356568) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide
PubChem CID18356568
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide
SMILESC/C(N)=N\CCCc1ccc(CC/N=C(\C)N)s1
InChIInChI=1S/C13H22N4S/c1-10(14)16-8-3-4-12-5-6-13(18-12)7-9-17-11(2)15/h5-6H,3-4,7-9H2,1-2H3,(H2,14,16)(H2,15,17)
InChIKeyCMQDKJOOHSVNKD-UHFFFAOYSA-N
XLogP1.98
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide?
The IUPAC name of N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide (CID 18356568) is N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide.
What is the SMILES notation for N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide?
The canonical SMILES for N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide is C/C(N)=N\CCCc1ccc(CC/N=C(\C)N)s1.
What is the InChIKey of N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide?
The InChIKey is CMQDKJOOHSVNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10(14)16-8-3-4-12-5-6-13(18-12)7-9-17-11(2)15/h5-6H,3-4,7-9H2,1-2H3,(H2,14,16)(H2,15,17).
What are the key properties of N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide?
N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide has a molecular weight of 266.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-[2-(1-aminoethylideneamino)ethyl]thiophen-2-yl]propyl]ethanimidamide is sourced from PubChem (CID 18356568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).