1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide

C15H26IN3 — CID 111030275

IUPAC1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC(C)c1ccccc1.I
InChIInChI=1S/C15H25N3.HI/c1-12(2)9-10-17-15(16)18-11-13(3)14-7-5-4-6-8-14;/h4-8,12-13H,9-11H2,1-3H3,(H3,16,17,18);1H
InChIKeyBZHYIVSXQIZDMM-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.36
Rot. Bonds6

About 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide

1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111030275) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID111030275
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC(C)c1ccccc1.I
InChIInChI=1S/C15H25N3.HI/c1-12(2)9-10-17-15(16)18-11-13(3)14-7-5-4-6-8-14;/h4-8,12-13H,9-11H2,1-3H3,(H3,16,17,18);1H
InChIKeyBZHYIVSXQIZDMM-UHFFFAOYSA-N
XLogP3.36
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.36
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'}

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Related Compounds

1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
CID 111799956
1-ethyl-2-(2-phenylpropyl)guanidine
CID 115612304
2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111099775
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030287
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067385
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111056482
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111814335
2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
CID 111799989
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide (CID 111030275) is 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide is CC(C)CCN/C(N)=N/CC(C)c1ccccc1.I.
What is the InChIKey of 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is BZHYIVSXQIZDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.HI/c1-12(2)9-10-17-15(16)18-11-13(3)14-7-5-4-6-8-14;/h4-8,12-13H,9-11H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide?
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 375.30 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111030275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).