1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine

C9H20N6 — CID 176546957

IUPAC1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C1CCN(CC)CC1
InChIInChI=1S/C9H20N6/c1-2-15-5-3-7(4-6-15)13-9(12)14-8(10)11/h7H,2-6H2,1H3,(H6,10,11,12,13,14)
InChIKeyJXYOSSDRZBMJBY-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.73
Rot. Bonds2

About 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine

1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine (PubChem CID 176546957) has the molecular formula C9H20N6 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine
PubChem CID176546957
Molecular FormulaC9H20N6
Molecular Weight212.30 g/mol
Exact Mass212.17
IUPAC Name1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C1CCN(CC)CC1
InChIInChI=1S/C9H20N6/c1-2-15-5-3-7(4-6-15)13-9(12)14-8(10)11/h7H,2-6H2,1H3,(H6,10,11,12,13,14)
InChIKeyJXYOSSDRZBMJBY-UHFFFAOYSA-N
XLogP-0.73
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine (CID 176546957) is 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine is [H]/N=C(\N)N/C(N)=N/C1CCN(CC)CC1.
What is the InChIKey of 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine?
The InChIKey is JXYOSSDRZBMJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6/c1-2-15-5-3-7(4-6-15)13-9(12)14-8(10)11/h7H,2-6H2,1H3,(H6,10,11,12,13,14).
What are the key properties of 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine?
1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine has a molecular weight of 212.30 g/mol, XLogP of -0.73, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine is sourced from PubChem (CID 176546957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).