2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine

C7H18N4 — CID 22977236

IUPAC2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine
SMILESCN(C)CC/N=C(\N)N(C)C
InChIInChI=1S/C7H18N4/c1-10(2)6-5-9-7(8)11(3)4/h5-6H2,1-4H3,(H2,8,9)
InChIKeyIUXTUFSKZNZKEC-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.58
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine

2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine (PubChem CID 22977236) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine
PubChem CID22977236
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine
SMILESCN(C)CC/N=C(\N)N(C)C
InChIInChI=1S/C7H18N4/c1-10(2)6-5-9-7(8)11(3)4/h5-6H2,1-4H3,(H2,8,9)
InChIKeyIUXTUFSKZNZKEC-UHFFFAOYSA-N
XLogP-0.58
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.58
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine (CID 22977236) is 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine is CN(C)CC/N=C(\N)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine?
The InChIKey is IUXTUFSKZNZKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-10(2)6-5-9-7(8)11(3)4/h5-6H2,1-4H3,(H2,8,9).
What are the key properties of 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine?
2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine has a molecular weight of 158.25 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1,1-dimethylguanidine is sourced from PubChem (CID 22977236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).