1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide

C15H23ClIN3 — CID 111640337

IUPAC1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CC1(c2cccc(Cl)c2)CC1.I
InChIInChI=1S/C15H22ClN3.HI/c1-2-3-9-18-14(17)19-11-15(7-8-15)12-5-4-6-13(16)10-12;/h4-6,10H,2-3,7-9,11H2,1H3,(H3,17,18,19);1H
InChIKeyHOMKSLNLEPIBFZ-UHFFFAOYSA-N
MW407.73 g/mol
LogP3.69
Rot. Bonds6

About 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide

1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide (PubChem CID 111640337) has the molecular formula C15H23ClIN3 and a molecular weight of 407.73 g/mol. Its IUPAC name is 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
PubChem CID111640337
Molecular FormulaC15H23ClIN3
Molecular Weight407.73 g/mol
Exact Mass407.06
IUPAC Name1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CC1(c2cccc(Cl)c2)CC1.I
InChIInChI=1S/C15H22ClN3.HI/c1-2-3-9-18-14(17)19-11-15(7-8-15)12-5-4-6-13(16)10-12;/h4-6,10H,2-3,7-9,11H2,1H3,(H3,17,18,19);1H
InChIKeyHOMKSLNLEPIBFZ-UHFFFAOYSA-N
XLogP3.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.73
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;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

2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111081118
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111818335
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119148136
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111640072
1-butyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine
CID 111098373
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111771965
1-(3-chloro-4-methoxyphenyl)-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111818337
2-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111081100
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine
CID 111812092
2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110973566
2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]guanidine
CID 110918050
2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111081165

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide (CID 111640337) is 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide is CCCCN/C(N)=N/CC1(c2cccc(Cl)c2)CC1.I.
What is the InChIKey of 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
The InChIKey is HOMKSLNLEPIBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3.HI/c1-2-3-9-18-14(17)19-11-15(7-8-15)12-5-4-6-13(16)10-12;/h4-6,10H,2-3,7-9,11H2,1H3,(H3,17,18,19);1H.
What are the key properties of 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide has a molecular weight of 407.73 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111640337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).