3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide

C12H21N5 — CID 63694039

IUPAC3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CCN(C)C
InChIInChI=1S/C12H21N5/c1-16(2)7-8-17(3)9-10-5-4-6-15-11(10)12(13)14/h4-6H,7-9H2,1-3H3,(H3,13,14)
InChIKeyFFTDMWGGTFKKPC-UHFFFAOYSA-N
MW235.34 g/mol
LogP0.36
Rot. Bonds6

About 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide

3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide (PubChem CID 63694039) has the molecular formula C12H21N5 and a molecular weight of 235.34 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
PubChem CID63694039
Molecular FormulaC12H21N5
Molecular Weight235.34 g/mol
Exact Mass235.18
IUPAC Name3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CCN(C)C
InChIInChI=1S/C12H21N5/c1-16(2)7-8-17(3)9-10-5-4-6-15-11(10)12(13)14/h4-6H,7-9H2,1-3H3,(H3,13,14)
InChIKeyFFTDMWGGTFKKPC-UHFFFAOYSA-N
XLogP0.36
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide 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 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide (CID 63694039) is 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(C)CCN(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is FFTDMWGGTFKKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16(2)7-8-17(3)9-10-5-4-6-15-11(10)12(13)14/h4-6H,7-9H2,1-3H3,(H3,13,14).
What are the key properties of 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide?
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 235.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63694039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).