1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine

C13H19N3 — CID 95766819

IUPAC1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
SMILESC[C@H](C/N=C(\N)NC1CC1)c1ccccc1
InChIInChI=1S/C13H19N3/c1-10(11-5-3-2-4-6-11)9-15-13(14)16-12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H3,14,15,16)/t10-/m1/s1
InChIKeyUPFYQVHIPORJKF-SNVBAGLBSA-N
MW217.32 g/mol
LogP1.86
Rot. Bonds4

About 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine

1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine (PubChem CID 95766819) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
PubChem CID95766819
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
SMILESC[C@H](C/N=C(\N)NC1CC1)c1ccccc1
InChIInChI=1S/C13H19N3/c1-10(11-5-3-2-4-6-11)9-15-13(14)16-12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H3,14,15,16)/t10-/m1/s1
InChIKeyUPFYQVHIPORJKF-SNVBAGLBSA-N
XLogP1.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.86
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'}

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Related Compounds

1-cyclopropyl-2-(2,3-diphenylpropyl)guanidine
CID 166183703
1-ethyl-2-(2-phenylpropyl)guanidine
CID 115612304
1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine
CID 122096278
1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030287
1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
CID 131134548
1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111676760
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411955
1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110912213
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
CID 78298572

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine (CID 95766819) is 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine is C[C@H](C/N=C(\N)NC1CC1)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine?
The InChIKey is UPFYQVHIPORJKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(11-5-3-2-4-6-11)9-15-13(14)16-12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H3,14,15,16)/t10-/m1/s1.
What are the key properties of 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine?
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine has a molecular weight of 217.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine is sourced from PubChem (CID 95766819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).