2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine

C13H22N4 — CID 130557075

IUPAC2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
SMILESCN(C)CCN(C)/C(N)=N/Cc1ccccc1
InChIInChI=1S/C13H22N4/c1-16(2)9-10-17(3)13(14)15-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,14,15)
InChIKeyUZMQIRMEMUZKGE-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.99
Rot. Bonds5

About 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine

2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine (PubChem CID 130557075) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
PubChem CID130557075
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
SMILESCN(C)CCN(C)/C(N)=N/Cc1ccccc1
InChIInChI=1S/C13H22N4/c1-16(2)9-10-17(3)13(14)15-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,14,15)
InChIKeyUZMQIRMEMUZKGE-UHFFFAOYSA-N
XLogP0.99
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
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-butan-2-yl-1-methylguanidine
CID 130159853
1-(N'-benzylcarbamimidoyl)-2-[3-(dimethylamino)propyl]guanidine
CID 20609172
N'-benzylpropanimidamide
CID 45122449
N'-benzyl-2-hydroxyethanimidamide
CID 90668671
2-benzyl-1-carbamimidoyl-1-propylguanidine
CID 24839408
N'-benzyl-N,N-dimethylethanimidamide
CID 525276
CID 134889697
CID 134889697
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1,1-diethylguanidine
CID 111100929
1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine
CID 123140096
2-benzyl-1-phenylguanidine
CID 12910062
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
The IUPAC name of 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine (CID 130557075) is 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine.
What is the SMILES notation for 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
The canonical SMILES for 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine is CN(C)CCN(C)/C(N)=N/Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
The InChIKey is UZMQIRMEMUZKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)9-10-17(3)13(14)15-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,14,15).
What are the key properties of 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine has a molecular weight of 234.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine is sourced from PubChem (CID 130557075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).