2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide

C15H23ClIN3 — CID 111098220

IUPAC2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CC1(c2ccc(Cl)cc2)CCC1.I
InChIInChI=1S/C15H22ClN3.HI/c1-11(2)19-14(17)18-10-15(8-3-9-15)12-4-6-13(16)7-5-12;/h4-7,11H,3,8-10H2,1-2H3,(H3,17,18,19);1H
InChIKeyMKJFMNIPMOZPAM-UHFFFAOYSA-N
MW407.73 g/mol
LogP3.69
Rot. Bonds4

About 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide

2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111098220) has the molecular formula C15H23ClIN3 and a molecular weight of 407.73 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111098220
Molecular FormulaC15H23ClIN3
Molecular Weight407.73 g/mol
Exact Mass407.06
IUPAC Name2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CC1(c2ccc(Cl)cc2)CCC1.I
InChIInChI=1S/C15H22ClN3.HI/c1-11(2)19-14(17)18-10-15(8-3-9-15)12-4-6-13(16)7-5-12;/h4-7,11H,3,8-10H2,1-2H3,(H3,17,18,19);1H
InChIKeyMKJFMNIPMOZPAM-UHFFFAOYSA-N
XLogP3.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;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-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine
CID 110935297
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1,1-diethylguanidine;hydroiodide
CID 111098218
2-[(4-phenyloxan-4-yl)methyl]-1-propan-2-ylguanidine
CID 111067990
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110935474
2-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111081100
2-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111091549
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
CID 111816564
2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030573
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111801711

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide (CID 111098220) is 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/C(N)=N/CC1(c2ccc(Cl)cc2)CCC1.I.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is MKJFMNIPMOZPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3.HI/c1-11(2)19-14(17)18-10-15(8-3-9-15)12-4-6-13(16)7-5-12;/h4-7,11H,3,8-10H2,1-2H3,(H3,17,18,19);1H.
What are the key properties of 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 407.73 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111098220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).