2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine

C16H25N3 — CID 136921150

IUPAC2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(c1ccccc1)C(C)C
InChIInChI=1S/C16H25N3/c1-12(2)10-18-16(17)19-11-15(13(3)4)14-8-6-5-7-9-14/h5-9,13,15H,1,10-11H2,2-4H3,(H3,17,18,19)
InChIKeyMIRDTMUCUZXVJE-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.91
Rot. Bonds6

About 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine

2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine (PubChem CID 136921150) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine
PubChem CID136921150
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(c1ccccc1)C(C)C
InChIInChI=1S/C16H25N3/c1-12(2)10-18-16(17)19-11-15(13(3)4)14-8-6-5-7-9-14/h5-9,13,15H,1,10-11H2,2-4H3,(H3,17,18,19)
InChIKeyMIRDTMUCUZXVJE-UHFFFAOYSA-N
XLogP2.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.91
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

1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
CID 111069108
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111803964
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
1-(2-methylprop-2-enyl)-2-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111812851
1-ethyl-2-(2-phenylpropyl)guanidine
CID 115612304
2-(2,2-diphenylethyl)-1-ethylguanidine
CID 111031160
2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine
CID 136921329

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine (CID 136921150) is 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine is C=C(C)CN/C(N)=N/CC(c1ccccc1)C(C)C.
What is the InChIKey of 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine?
The InChIKey is MIRDTMUCUZXVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)10-18-16(17)19-11-15(13(3)4)14-8-6-5-7-9-14/h5-9,13,15H,1,10-11H2,2-4H3,(H3,17,18,19).
What are the key properties of 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine?
2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine has a molecular weight of 259.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 136921150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).