1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide

C14H24IN3 — CID 111030277

IUPAC1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CC(C)c1ccccc1.I
InChIInChI=1S/C14H23N3.HI/c1-3-4-10-16-14(15)17-11-12(2)13-8-6-5-7-9-13;/h5-9,12H,3-4,10-11H2,1-2H3,(H3,15,16,17);1H
InChIKeyJHCSBILTMMHUEB-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.11
Rot. Bonds6

About 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide

1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111030277) has the molecular formula C14H24IN3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID111030277
Molecular FormulaC14H24IN3
Molecular Weight361.27 g/mol
Exact Mass361.10
IUPAC Name1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCCCCN/C(N)=N/CC(C)c1ccccc1.I
InChIInChI=1S/C14H23N3.HI/c1-3-4-10-16-14(15)17-11-12(2)13-8-6-5-7-9-13;/h5-9,12H,3-4,10-11H2,1-2H3,(H3,15,16,17);1H
InChIKeyJHCSBILTMMHUEB-UHFFFAOYSA-N
XLogP3.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.11
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-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
1-ethyl-2-(2-phenylpropyl)guanidine
CID 115612304
2-(3-hydroxy-2-phenylpropyl)-1-octylguanidine;hydroiodide
CID 111799965
1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097623
1-butyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056401
2-(2-anilino-3-methylbutyl)-1-butylguanidine
CID 111041023
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030287
2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
CID 111799989
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127
1-butyl-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081849
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide (CID 111030277) is 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide is CCCCN/C(N)=N/CC(C)c1ccccc1.I.
What is the InChIKey of 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is JHCSBILTMMHUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.HI/c1-3-4-10-16-14(15)17-11-12(2)13-8-6-5-7-9-13;/h5-9,12H,3-4,10-11H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide?
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 361.27 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111030277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).