1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine

C18H39N5 — CID 111161545

IUPAC1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine
SMILESCCCCCCN/C(=N/CC(C)N1CCN(CC)CC1)NCC
InChIInChI=1S/C18H39N5/c1-5-8-9-10-11-20-18(19-6-2)21-16-17(4)23-14-12-22(7-3)13-15-23/h17H,5-16H2,1-4H3,(H2,19,20,21)
InChIKeyZTTUICMTRRLVFC-UHFFFAOYSA-N
MW325.55 g/mol
LogP2.15
Rot. Bonds10

About 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine

1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine (PubChem CID 111161545) has the molecular formula C18H39N5 and a molecular weight of 325.55 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine
PubChem CID111161545
Molecular FormulaC18H39N5
Molecular Weight325.55 g/mol
Exact Mass325.32
IUPAC Name1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine
SMILESCCCCCCN/C(=N/CC(C)N1CCN(CC)CC1)NCC
InChIInChI=1S/C18H39N5/c1-5-8-9-10-11-20-18(19-6-2)21-16-17(4)23-14-12-22(7-3)13-15-23/h17H,5-16H2,1-4H3,(H2,19,20,21)
InChIKeyZTTUICMTRRLVFC-UHFFFAOYSA-N
XLogP2.15
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 52.15
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 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine 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

1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943250
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212368
1-(3-ethoxypropyl)-3-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111222336
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111343669
1-(3-cyclopentylpropyl)-3-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine
CID 111946897
1-butyl-3-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111149681
1-(3-butoxypropyl)-3-ethyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111238743
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-(4-methylcyclohexyl)guanidine
CID 111255723
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-pentylguanidine
CID 111130454
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111882274
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111409982
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111170502

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine?
The IUPAC name of 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine (CID 111161545) is 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine?
The canonical SMILES for 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine is CCCCCCN/C(=N/CC(C)N1CCN(CC)CC1)NCC.
What is the InChIKey of 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine?
The InChIKey is ZTTUICMTRRLVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N5/c1-5-8-9-10-11-20-18(19-6-2)21-16-17(4)23-14-12-22(7-3)13-15-23/h17H,5-16H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine?
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine has a molecular weight of 325.55 g/mol, XLogP of 2.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-hexylguanidine is sourced from PubChem (CID 111161545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).