1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine

C15H24N4 — CID 111078755

IUPAC1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(C)Cc1ccccc1
InChIInChI=1S/C15H24N4/c1-13(2)11-18-15(16)17-9-10-19(3)12-14-7-5-4-6-8-14/h4-8H,1,9-12H2,2-3H3,(H3,16,17,18)
InChIKeyWVRNNYCMFSMLET-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.60
Rot. Bonds7

About 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine

1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111078755) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111078755
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(C)Cc1ccccc1
InChIInChI=1S/C15H24N4/c1-13(2)11-18-15(16)17-9-10-19(3)12-14-7-5-4-6-8-14/h4-8H,1,9-12H2,2-3H3,(H3,16,17,18)
InChIKeyWVRNNYCMFSMLET-UHFFFAOYSA-N
XLogP1.60
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
CID 111078743
2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
CID 111078707
1-[4-(N-methylanilino)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111078637
N-benzyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111092317
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide
CID 111752415
1-[2-(benzylsulfamoyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111062435
1-[2-[benzyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111078725
2-(2-methylprop-2-enyl)-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111028471
1-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111089175
1-[2-(4-fluorophenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025566
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(3-methylbutyl)guanidine
CID 111752434
N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042845

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111078755) is 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN(C)Cc1ccccc1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is WVRNNYCMFSMLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-13(2)11-18-15(16)17-9-10-19(3)12-14-7-5-4-6-8-14/h4-8H,1,9-12H2,2-3H3,(H3,16,17,18).
What are the key properties of 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 260.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111078755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).