2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine

C17H30N4 — CID 110949344

IUPAC2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N(C)C)NC(C)c1ccccc1
InChIInChI=1S/C17H30N4/c1-7-18-16(19-13-17(3,4)21(5)6)20-14(2)15-11-9-8-10-12-15/h8-12,14H,7,13H2,1-6H3,(H2,18,19,20)
InChIKeyFGMRXZNQDYAABK-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine

2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine (PubChem CID 110949344) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine
PubChem CID110949344
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N(C)C)NC(C)c1ccccc1
InChIInChI=1S/C17H30N4/c1-7-18-16(19-13-17(3,4)21(5)6)20-14(2)15-11-9-8-10-12-15/h8-12,14H,7,13H2,1-6H3,(H2,18,19,20)
InChIKeyFGMRXZNQDYAABK-UHFFFAOYSA-N
XLogP2.64
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.64
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

2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418550
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111947772
4-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110950069
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950275
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(1-phenylethyl)guanidine
CID 110949496
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110950048
2-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948077
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine
CID 110949054
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545940
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948169

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine (CID 110949344) is 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine is CCN/C(=N\CC(C)(C)N(C)C)NC(C)c1ccccc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine?
The InChIKey is FGMRXZNQDYAABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-7-18-16(19-13-17(3,4)21(5)6)20-14(2)15-11-9-8-10-12-15/h8-12,14H,7,13H2,1-6H3,(H2,18,19,20).
What are the key properties of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine?
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine has a molecular weight of 290.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110949344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).