1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine

C14H21N3 — CID 136924616

IUPAC1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(C)c1ccccc1
InChIInChI=1S/C14H21N3/c1-11(2)9-16-14(15)17-10-12(3)13-7-5-4-6-8-13/h4-8,12H,1,9-10H2,2-3H3,(H3,15,16,17)
InChIKeyUTMINSLCEWTLDT-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.27
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine

1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine (PubChem CID 136924616) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
PubChem CID136924616
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(C)c1ccccc1
InChIInChI=1S/C14H21N3/c1-11(2)9-16-14(15)17-10-12(3)13-7-5-4-6-8-13/h4-8,12H,1,9-10H2,2-3H3,(H3,15,16,17)
InChIKeyUTMINSLCEWTLDT-UHFFFAOYSA-N
XLogP2.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.27
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine
CID 136921150
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
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111803964
1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030287
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
2-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
CID 137062636
2-(2-hydroxy-2-pyridin-4-ylethyl)-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136726358
1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine
CID 111566861
1-(2-methylprop-2-enyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 136926885
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136924041

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine (CID 136924616) is 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine is C=C(C)CN/C(N)=N/CC(C)c1ccccc1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine?
The InChIKey is UTMINSLCEWTLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(2)9-16-14(15)17-10-12(3)13-7-5-4-6-8-13/h4-8,12H,1,9-10H2,2-3H3,(H3,15,16,17).
What are the key properties of 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine?
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine is sourced from PubChem (CID 136924616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).