2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine

C10H22N4 — CID 62547164

IUPAC2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
SMILESCC/N=C(\N)N(C)C1CCCN(C)C1
InChIInChI=1S/C10H22N4/c1-4-12-10(11)14(3)9-6-5-7-13(2)8-9/h9H,4-8H2,1-3H3,(H2,11,12)
InChIKeyOIXOQBZZXDDMNR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.35
Rot. Bonds2

About 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine

2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine (PubChem CID 62547164) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
PubChem CID62547164
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
SMILESCC/N=C(\N)N(C)C1CCCN(C)C1
InChIInChI=1S/C10H22N4/c1-4-12-10(11)14(3)9-6-5-7-13(2)8-9/h9H,4-8H2,1-3H3,(H2,11,12)
InChIKeyOIXOQBZZXDDMNR-UHFFFAOYSA-N
XLogP0.35
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.35
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'}

Analyze 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine 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 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine?
The IUPAC name of 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine (CID 62547164) is 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine.
What is the SMILES notation for 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine?
The canonical SMILES for 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine is CC/N=C(\N)N(C)C1CCCN(C)C1.
What is the InChIKey of 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine?
The InChIKey is OIXOQBZZXDDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-4-12-10(11)14(3)9-6-5-7-13(2)8-9/h9H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine?
2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine is sourced from PubChem (CID 62547164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).