2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine

C12H20N8 — CID 135027223

IUPAC2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
SMILESNC(N)=N/N=C1/C2CC3CC(C2)/C(=N\N=C(N)N)C1C3
InChIInChI=1S/C12H20N8/c13-11(14)19-17-9-6-1-5-2-7(4-6)10(8(9)3-5)18-20-12(15)16/h5-8H,1-4H2,(H4,13,14,19)(H4,15,16,20)/b17-9-,18-10-
InChIKeyFQDOHXQMWCGMLV-XFQWXJFMSA-N
MW276.35 g/mol
LogP-0.69
Rot. Bonds2

About 2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine

2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine (PubChem CID 135027223) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
PubChem CID135027223
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
SMILESNC(N)=N/N=C1/C2CC3CC(C2)/C(=N\N=C(N)N)C1C3
InChIInChI=1S/C12H20N8/c13-11(14)19-17-9-6-1-5-2-7(4-6)10(8(9)3-5)18-20-12(15)16/h5-8H,1-4H2,(H4,13,14,19)(H4,15,16,20)/b17-9-,18-10-
InChIKeyFQDOHXQMWCGMLV-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-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine (CID 135027223) is 2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine is NC(N)=N/N=C1/C2CC3CC(C2)/C(=N\N=C(N)N)C1C3.
What is the InChIKey of 2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine?
The InChIKey is FQDOHXQMWCGMLV-XFQWXJFMSA-N. The full InChI is InChI=1S/C12H20N8/c13-11(14)19-17-9-6-1-5-2-7(4-6)10(8(9)3-5)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-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine?
2-[(Z)-[(4Z)-4-(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-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine is sourced from PubChem (CID 135027223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).