2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine

C12H24N8O2 — CID 10018406

IUPAC2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
SMILESNC(N)=NCCCC1NC(=O)C(CCCN=C(N)N)NC1=O
InChIInChI=1S/C12H24N8O2/c13-11(14)17-5-1-3-7-9(21)20-8(10(22)19-7)4-2-6-18-12(15)16/h7-8H,1-6H2,(H,19,22)(H,20,21)(H4,13,14,17)(H4,15,16,18)
InChIKeyMOGZJONMLZMXCO-UHFFFAOYSA-N
MW312.38 g/mol
LogP-2.92
Rot. Bonds8

About 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine

2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine (PubChem CID 10018406) has the molecular formula C12H24N8O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
PubChem CID10018406
Molecular FormulaC12H24N8O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
SMILESNC(N)=NCCCC1NC(=O)C(CCCN=C(N)N)NC1=O
InChIInChI=1S/C12H24N8O2/c13-11(14)17-5-1-3-7-9(21)20-8(10(22)19-7)4-2-6-18-12(15)16/h7-8H,1-6H2,(H,19,22)(H,20,21)(H4,13,14,17)(H4,15,16,18)
InChIKeyMOGZJONMLZMXCO-UHFFFAOYSA-N
XLogP-2.92
TPSA187.00 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 5-2.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine?
The IUPAC name of 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine (CID 10018406) is 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine is NC(N)=NCCCC1NC(=O)C(CCCN=C(N)N)NC1=O.
What is the InChIKey of 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine?
The InChIKey is MOGZJONMLZMXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N8O2/c13-11(14)17-5-1-3-7-9(21)20-8(10(22)19-7)4-2-6-18-12(15)16/h7-8H,1-6H2,(H,19,22)(H,20,21)(H4,13,14,17)(H4,15,16,18).
What are the key properties of 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine?
2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine has a molecular weight of 312.38 g/mol, XLogP of -2.92, 8 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine is sourced from PubChem (CID 10018406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).