1-(2-aminoethyl)-2,3-dimethylguanidine

C5H14N4 — CID 130825411

IUPAC1-(2-aminoethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCN
InChIInChI=1S/C5H14N4/c1-7-5(8-2)9-4-3-6/h3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyRWHWTVCOLNSXFA-UHFFFAOYSA-N
MW130.19 g/mol
LogP-1.26
Rot. Bonds2

About 1-(2-aminoethyl)-2,3-dimethylguanidine

1-(2-aminoethyl)-2,3-dimethylguanidine (PubChem CID 130825411) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(2-aminoethyl)-2,3-dimethylguanidine
PubChem CID130825411
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name1-(2-aminoethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCN
InChIInChI=1S/C5H14N4/c1-7-5(8-2)9-4-3-6/h3-4,6H2,1-2H3,(H2,7,8,9)
InChIKeyRWHWTVCOLNSXFA-UHFFFAOYSA-N
XLogP-1.26
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2-aminoethyl)-2,3-dimethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(2-aminoethyl)-2,3-dimethylguanidine (CID 130825411) is 1-(2-aminoethyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(2-aminoethyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(2-aminoethyl)-2,3-dimethylguanidine is C/N=C(\NC)NCCN.
What is the InChIKey of 1-(2-aminoethyl)-2,3-dimethylguanidine?
The InChIKey is RWHWTVCOLNSXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4/c1-7-5(8-2)9-4-3-6/h3-4,6H2,1-2H3,(H2,7,8,9).
What are the key properties of 1-(2-aminoethyl)-2,3-dimethylguanidine?
1-(2-aminoethyl)-2,3-dimethylguanidine has a molecular weight of 130.19 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2,3-dimethylguanidine is sourced from PubChem (CID 130825411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).