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

C10H23N5 — CID 104882511

IUPAC3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
SMILESCC/N=C(\NN)N(C)C1CCCN(C)C1
InChIInChI=1S/C10H23N5/c1-4-12-10(13-11)15(3)9-6-5-7-14(2)8-9/h9H,4-8,11H2,1-3H3,(H,12,13)
InChIKeyROTJBNMBRJXJCS-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.15
Rot. Bonds2

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

3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine (PubChem CID 104882511) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine.

Molecular Properties

Compound Name3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
PubChem CID104882511
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
SMILESCC/N=C(\NN)N(C)C1CCCN(C)C1
InChIInChI=1S/C10H23N5/c1-4-12-10(13-11)15(3)9-6-5-7-14(2)8-9/h9H,4-8,11H2,1-3H3,(H,12,13)
InChIKeyROTJBNMBRJXJCS-UHFFFAOYSA-N
XLogP-0.15
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.15
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 3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine?
The IUPAC name of 3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine (CID 104882511) is 3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine.
What is the SMILES notation for 3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine?
The canonical SMILES for 3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine is CC/N=C(\NN)N(C)C1CCCN(C)C1.
What is the InChIKey of 3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine?
The InChIKey is ROTJBNMBRJXJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-4-12-10(13-11)15(3)9-6-5-7-14(2)8-9/h9H,4-8,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine?
3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine has a molecular weight of 213.33 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-1-methyl-1-(1-methylpiperidin-3-yl)guanidine is sourced from PubChem (CID 104882511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).