2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine

C12H20N8 — CID 102193358

IUPAC2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
SMILESNC(N)=NN=C1C2CC3CC1CC(C2)C3=NN=C(N)N
InChIInChI=1S/C12H20N8/c13-11(14)19-17-9-5-1-6-3-8(9)4-7(2-5)10(6)18-20-12(15)16/h5-8H,1-4H2,(H4,13,14,19)(H4,15,16,20)/b17-9-,18-10-
InChIKeyVVRICKZUJOGMJW-XFQWXJFMSA-N
MW276.35 g/mol
LogP-0.69
Rot. Bonds2

About 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine

2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine (PubChem CID 102193358) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
PubChem CID102193358
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
SMILESNC(N)=NN=C1C2CC3CC1CC(C2)C3=NN=C(N)N
InChIInChI=1S/C12H20N8/c13-11(14)19-17-9-5-1-6-3-8(9)4-7(2-5)10(6)18-20-12(15)16/h5-8H,1-4H2,(H4,13,14,19)(H4,15,16,20)/b17-9-,18-10-
InChIKeyVVRICKZUJOGMJW-XFQWXJFMSA-N
XLogP-0.69
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine?
The IUPAC name of 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine (CID 102193358) is 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine.
What is the SMILES notation for 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine?
The canonical SMILES for 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine is NC(N)=NN=C1C2CC3CC1CC(C2)C3=NN=C(N)N.
What is the InChIKey of 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine?
The InChIKey is VVRICKZUJOGMJW-XFQWXJFMSA-N. The full InChI is InChI=1S/C12H20N8/c13-11(14)19-17-9-5-1-6-3-8(9)4-7(2-5)10(6)18-20-12(15)16/h5-8H,1-4H2,(H4,13,14,19)(H4,15,16,20)/b17-9-,18-10-.
What are the key properties of 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine?
2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine has a molecular weight of 276.35 g/mol, XLogP of -0.69, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine is sourced from PubChem (CID 102193358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).