1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine

C15H26N4 — CID 111034041

IUPAC1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine
SMILESCN(C)Cc1ccc(C/N=C(\N)NC(C)(C)C)cc1
InChIInChI=1S/C15H26N4/c1-15(2,3)18-14(16)17-10-12-6-8-13(9-7-12)11-19(4)5/h6-9H,10-11H2,1-5H3,(H3,16,17,18)
InChIKeyZMBMOEZDNUYKHB-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.95
Rot. Bonds4

About 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine

1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine (PubChem CID 111034041) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine
PubChem CID111034041
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine
SMILESCN(C)Cc1ccc(C/N=C(\N)NC(C)(C)C)cc1
InChIInChI=1S/C15H26N4/c1-15(2,3)18-14(16)17-10-12-6-8-13(9-7-12)11-19(4)5/h6-9H,10-11H2,1-5H3,(H3,16,17,18)
InChIKeyZMBMOEZDNUYKHB-UHFFFAOYSA-N
XLogP1.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.95
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'}

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Related Compounds

1-tert-butyl-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110912100
1-tert-butyl-2-[(4-nitrophenyl)methyl]guanidine
CID 62363744
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023
1-tert-butyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111046400
1-tert-butyl-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111054263
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720763
1-tert-butyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]guanidine
CID 111052042
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095711
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597801

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine (CID 111034041) is 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine is CN(C)Cc1ccc(C/N=C(\N)NC(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine?
The InChIKey is ZMBMOEZDNUYKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,3)18-14(16)17-10-12-6-8-13(9-7-12)11-19(4)5/h6-9H,10-11H2,1-5H3,(H3,16,17,18).
What are the key properties of 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine?
1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine has a molecular weight of 262.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 111034041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).