1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide

C14H23ClIN3 — CID 111094459

IUPAC1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCCc1ccc(Cl)cc1.I
InChIInChI=1S/C14H22ClN3.HI/c1-11(2)10-18-14(16)17-9-3-4-12-5-7-13(15)8-6-12;/h5-8,11H,3-4,9-10H2,1-2H3,(H3,16,17,18);1H
InChIKeyJVKFZXDZGWZUTL-UHFFFAOYSA-N
MW395.72 g/mol
LogP3.45
Rot. Bonds6

About 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide

1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111094459) has the molecular formula C14H23ClIN3 and a molecular weight of 395.72 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111094459
Molecular FormulaC14H23ClIN3
Molecular Weight395.72 g/mol
Exact Mass395.06
IUPAC Name1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCCc1ccc(Cl)cc1.I
InChIInChI=1S/C14H22ClN3.HI/c1-11(2)10-18-14(16)17-9-3-4-12-5-7-13(15)8-6-12;/h5-8,11H,3-4,9-10H2,1-2H3,(H3,16,17,18);1H
InChIKeyJVKFZXDZGWZUTL-UHFFFAOYSA-N
XLogP3.45
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.72
LogP ≤ 53.45
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'}

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Related Compounds

1-[3-(4-chlorophenyl)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111094494
4-chloro-N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111042953
2-(2-methylprop-2-enyl)-1-[3-(4-propan-2-ylphenyl)propyl]guanidine;hydroiodide
CID 111549439
2-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111022749
1-[2-(4-chlorophenyl)ethyl]-2-propylguanidine
CID 62362687
(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
CID 95328053
1-[2-(3,5-difluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110921193
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-methylpropyl)guanidine
CID 111809518
1-[2-(4-chlorophenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111024774
1-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111077808
2-(2-methylpropyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111802991
2-chloro-N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111043273

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 111094459) is 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide is CC(C)C/N=C(\N)NCCCc1ccc(Cl)cc1.I.
What is the InChIKey of 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is JVKFZXDZGWZUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3.HI/c1-11(2)10-18-14(16)17-9-3-4-12-5-7-13(15)8-6-12;/h5-8,11H,3-4,9-10H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 395.72 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111094459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).