1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine

C14H19N3 — CID 111566861

IUPAC1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC=Cc1ccccc1
InChIInChI=1S/C14H19N3/c1-12(2)11-17-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9H,1,10-11H2,2H3,(H3,15,16,17)
InChIKeyGFRJRWOXXHQWFE-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.18
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine

1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine (PubChem CID 111566861) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine
PubChem CID111566861
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC=Cc1ccccc1
InChIInChI=1S/C14H19N3/c1-12(2)11-17-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9H,1,10-11H2,2H3,(H3,15,16,17)
InChIKeyGFRJRWOXXHQWFE-UHFFFAOYSA-N
XLogP2.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.18
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-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 88779532
2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 70585759
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine
CID 136921150
2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111811754
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090997
2-[2-(2-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111100275
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111034513
1-(3-chloro-4-methoxyphenyl)-2-(3-phenylprop-2-enyl)guanidine;hydroiodide
CID 111811765
2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine
CID 111088048
2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111047580
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111039925

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine (CID 111566861) is 1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine is C=C(C)CN/C(N)=N/CC=Cc1ccccc1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine?
The InChIKey is GFRJRWOXXHQWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12(2)11-17-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9H,1,10-11H2,2H3,(H3,15,16,17).
What are the key properties of 1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine?
1-(2-methylprop-2-enyl)-2-(3-phenylprop-2-enyl)guanidine has a molecular weight of 229.33 g/mol, XLogP of 2.18, 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-(3-phenylprop-2-enyl)guanidine is sourced from PubChem (CID 111566861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).