1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine

C7H20N8 — CID 91450126

IUPAC1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine
SMILESNCCC/N=C(\N)NN/C(N)=N/CCN
InChIInChI=1S/C7H20N8/c8-2-1-4-12-6(10)14-15-7(11)13-5-3-9/h1-5,8-9H2,(H3,10,12,14)(H3,11,13,15)
InChIKeyONLUWHZTXGOMEM-UHFFFAOYSA-N
MW216.29 g/mol
LogP-2.98
Rot. Bonds5

About 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine

1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine (PubChem CID 91450126) has the molecular formula C7H20N8 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine.

Molecular Properties

Compound Name1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine
PubChem CID91450126
Molecular FormulaC7H20N8
Molecular Weight216.29 g/mol
Exact Mass216.18
IUPAC Name1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine
SMILESNCCC/N=C(\N)NN/C(N)=N/CCN
InChIInChI=1S/C7H20N8/c8-2-1-4-12-6(10)14-15-7(11)13-5-3-9/h1-5,8-9H2,(H3,10,12,14)(H3,11,13,15)
InChIKeyONLUWHZTXGOMEM-UHFFFAOYSA-N
XLogP-2.98
TPSA152.86 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.29
LogP ≤ 5-2.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine?
The IUPAC name of 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine (CID 91450126) is 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine.
What is the SMILES notation for 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine?
The canonical SMILES for 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine is NCCC/N=C(\N)NN/C(N)=N/CCN.
What is the InChIKey of 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine?
The InChIKey is ONLUWHZTXGOMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N8/c8-2-1-4-12-6(10)14-15-7(11)13-5-3-9/h1-5,8-9H2,(H3,10,12,14)(H3,11,13,15).
What are the key properties of 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine?
1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine has a molecular weight of 216.29 g/mol, XLogP of -2.98, 5 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[N'-(2-aminoethyl)carbamimidoyl]amino]-2-(3-aminopropyl)guanidine is sourced from PubChem (CID 91450126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).