1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine

C12H30N10 — CID 15052354

IUPAC1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine
SMILESNN/C(N)=N/CCCN1CCN(CCC/N=C(\N)NN)CC1
InChIInChI=1S/C12H30N10/c13-11(19-15)17-3-1-5-21-7-9-22(10-8-21)6-2-4-18-12(14)20-16/h1-10,15-16H2,(H3,13,17,19)(H3,14,18,20)
InChIKeyLCLNOEUPXVNEQT-UHFFFAOYSA-N
MW314.44 g/mol
LogP-3.06
Rot. Bonds8

About 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine

1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine (PubChem CID 15052354) has the molecular formula C12H30N10 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine
PubChem CID15052354
Molecular FormulaC12H30N10
Molecular Weight314.44 g/mol
Exact Mass314.27
IUPAC Name1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine
SMILESNN/C(N)=N/CCCN1CCN(CCC/N=C(\N)NN)CC1
InChIInChI=1S/C12H30N10/c13-11(19-15)17-3-1-5-21-7-9-22(10-8-21)6-2-4-18-12(14)20-16/h1-10,15-16H2,(H3,13,17,19)(H3,14,18,20)
InChIKeyLCLNOEUPXVNEQT-UHFFFAOYSA-N
XLogP-3.06
TPSA159.34 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.44
LogP ≤ 5-3.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine?
The IUPAC name of 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine (CID 15052354) is 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine.
What is the SMILES notation for 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine?
The canonical SMILES for 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine is NN/C(N)=N/CCCN1CCN(CCC/N=C(\N)NN)CC1.
What is the InChIKey of 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine?
The InChIKey is LCLNOEUPXVNEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N10/c13-11(19-15)17-3-1-5-21-7-9-22(10-8-21)6-2-4-18-12(14)20-16/h1-10,15-16H2,(H3,13,17,19)(H3,14,18,20).
What are the key properties of 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine?
1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine has a molecular weight of 314.44 g/mol, XLogP of -3.06, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine is sourced from PubChem (CID 15052354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).