2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine

C11H26N10 — CID 22639457

IUPAC2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCCCCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C11H26N10/c12-8(13)20-10(16)18-6-4-2-1-3-5-7-19-11(17)21-9(14)15/h1-7H2,(H6,12,13,16,18,20)(H6,14,15,17,19,21)
InChIKeyBYUZHFUCTUWAJS-UHFFFAOYSA-N
MW298.40 g/mol
LogP-1.89
Rot. Bonds8

About 2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine

2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine (PubChem CID 22639457) has the molecular formula C11H26N10 and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
PubChem CID22639457
Molecular FormulaC11H26N10
Molecular Weight298.40 g/mol
Exact Mass298.23
IUPAC Name2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCCCCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C11H26N10/c12-8(13)20-10(16)18-6-4-2-1-3-5-7-19-11(17)21-9(14)15/h1-7H2,(H6,12,13,16,18,20)(H6,14,15,17,19,21)
InChIKeyBYUZHFUCTUWAJS-UHFFFAOYSA-N
XLogP-1.89
TPSA205.56 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.40
LogP ≤ 5-1.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

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-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine (CID 22639457) is 2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/CCCCCCC/N=C(\N)N=C(N)N.
What is the InChIKey of 2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine?
The InChIKey is BYUZHFUCTUWAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N10/c12-8(13)20-10(16)18-6-4-2-1-3-5-7-19-11(17)21-9(14)15/h1-7H2,(H6,12,13,16,18,20)(H6,14,15,17,19,21).
What are the key properties of 2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine?
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine has a molecular weight of 298.40 g/mol, XLogP of -1.89, 8 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 22639457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).