1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide

C16H36IN5 — CID 111158134

IUPAC1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide
SMILESCCCCN(C)/C(=N\C)NCC(C)N1CCN(CC)CC1.I
InChIInChI=1S/C16H35N5.HI/c1-6-8-9-19(5)16(17-4)18-14-15(3)21-12-10-20(7-2)11-13-21;/h15H,6-14H2,1-5H3,(H,17,18);1H
InChIKeyLIDWZJZTXVBSKU-UHFFFAOYSA-N
MW425.40 g/mol
LogP1.94
Rot. Bonds7

About 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide

1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide (PubChem CID 111158134) has the molecular formula C16H36IN5 and a molecular weight of 425.40 g/mol. Its IUPAC name is 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide
PubChem CID111158134
Molecular FormulaC16H36IN5
Molecular Weight425.40 g/mol
Exact Mass425.20
IUPAC Name1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide
SMILESCCCCN(C)/C(=N\C)NCC(C)N1CCN(CC)CC1.I
InChIInChI=1S/C16H35N5.HI/c1-6-8-9-19(5)16(17-4)18-14-15(3)21-12-10-20(7-2)11-13-21;/h15H,6-14H2,1-5H3,(H,17,18);1H
InChIKeyLIDWZJZTXVBSKU-UHFFFAOYSA-N
XLogP1.94
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
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': 'iodine', 'substructure': 'N/A'}

Analyze 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide 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-[(4-ethoxyphenyl)methyl]-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine
CID 111275099
3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111299897
1-(2-ethylhexyl)-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine
CID 111127583
1-[3-[di(propan-2-yl)amino]propyl]-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine
CID 111692770
1-[2-(azepan-1-yl)-3-methylbutyl]-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111937360
1-[(4-chlorophenyl)methyl]-1,2-dimethyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111294150
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490096
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451944
1-[(3,4-dichlorophenyl)methyl]-1,2-dimethyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111306394
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111943427
1-butyl-3-ethyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111160214
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111293311

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide (CID 111158134) is 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide is CCCCN(C)/C(=N\C)NCC(C)N1CCN(CC)CC1.I.
What is the InChIKey of 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide?
The InChIKey is LIDWZJZTXVBSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N5.HI/c1-6-8-9-19(5)16(17-4)18-14-15(3)21-12-10-20(7-2)11-13-21;/h15H,6-14H2,1-5H3,(H,17,18);1H.
What are the key properties of 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide?
1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide has a molecular weight of 425.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 111158134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).