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

C14H24IN3 — CID 111030287

IUPAC1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NC(C)(C)C)c1ccccc1.I
InChIInChI=1S/C14H23N3.HI/c1-11(12-8-6-5-7-9-12)10-16-13(15)17-14(2,3)4;/h5-9,11H,10H2,1-4H3,(H3,15,16,17);1H
InChIKeyHNOFGGIXOJDYTD-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.11
Rot. Bonds3

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

1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111030287) has the molecular formula C14H24IN3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID111030287
Molecular FormulaC14H24IN3
Molecular Weight361.27 g/mol
Exact Mass361.10
IUPAC Name1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NC(C)(C)C)c1ccccc1.I
InChIInChI=1S/C14H23N3.HI/c1-11(12-8-6-5-7-9-12)10-16-13(15)17-14(2,3)4;/h5-9,11H,10H2,1-4H3,(H3,15,16,17);1H
InChIKeyHNOFGGIXOJDYTD-UHFFFAOYSA-N
XLogP3.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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': '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-tert-butyl-2-(2,3-diphenylpropyl)guanidine
CID 111799912
1-ethyl-2-(2-phenylpropyl)guanidine
CID 115612304
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
1-tert-butyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029760
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
CID 78298572
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
1-tert-butyl-2-[3-(1-phenylethoxy)propyl]guanidine
CID 111035718
1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine
CID 63189528
2-[2-(4-bromophenoxy)propyl]-1-tert-butylguanidine;hydroiodide
CID 119148338
2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
CID 111459323

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide (CID 111030287) is 1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide is CC(C/N=C(\N)NC(C)(C)C)c1ccccc1.I.
What is the InChIKey of 1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is HNOFGGIXOJDYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.HI/c1-11(12-8-6-5-7-9-12)10-16-13(15)17-14(2,3)4;/h5-9,11H,10H2,1-4H3,(H3,15,16,17);1H.
What are the key properties of 1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide?
1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 361.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111030287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).