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

C6H17N5 — CID 22977219

IUPAC1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine
SMILESCN(C)CC/N=C(\N)N(C)N
InChIInChI=1S/C6H17N5/c1-10(2)5-4-9-6(7)11(3)8/h4-5,8H2,1-3H3,(H2,7,9)
InChIKeyJHZBVQGEXBLIOR-UHFFFAOYSA-N
MW159.24 g/mol
LogP-1.33
Rot. Bonds3

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

1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine (PubChem CID 22977219) has the molecular formula C6H17N5 and a molecular weight of 159.24 g/mol. Its IUPAC name is 1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine
PubChem CID22977219
Molecular FormulaC6H17N5
Molecular Weight159.24 g/mol
Exact Mass159.15
IUPAC Name1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine
SMILESCN(C)CC/N=C(\N)N(C)N
InChIInChI=1S/C6H17N5/c1-10(2)5-4-9-6(7)11(3)8/h4-5,8H2,1-3H3,(H2,7,9)
InChIKeyJHZBVQGEXBLIOR-UHFFFAOYSA-N
XLogP-1.33
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine?
The IUPAC name of 1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine (CID 22977219) is 1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine.
What is the SMILES notation for 1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine?
The canonical SMILES for 1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine is CN(C)CC/N=C(\N)N(C)N.
What is the InChIKey of 1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine?
The InChIKey is JHZBVQGEXBLIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N5/c1-10(2)5-4-9-6(7)11(3)8/h4-5,8H2,1-3H3,(H2,7,9).
What are the key properties of 1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine?
1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine has a molecular weight of 159.24 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine is sourced from PubChem (CID 22977219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).