2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine

C7H18N10 — CID 22639466

IUPAC2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine
SMILESCC(C/N=C(\N)N=C(N)N)/N=C(\N)N=C(N)N
InChIInChI=1S/C7H18N10/c1-3(15-7(13)17-5(10)11)2-14-6(12)16-4(8)9/h3H,2H2,1H3,(H6,8,9,12,14,16)(H6,10,11,13,15,17)
InChIKeyRILBKYGGCMZHAB-UHFFFAOYSA-N
MW242.29 g/mol
LogP-3.45
Rot. Bonds3

About 2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine

2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine (PubChem CID 22639466) has the molecular formula C7H18N10 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine
PubChem CID22639466
Molecular FormulaC7H18N10
Molecular Weight242.29 g/mol
Exact Mass242.17
IUPAC Name2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine
SMILESCC(C/N=C(\N)N=C(N)N)/N=C(\N)N=C(N)N
InChIInChI=1S/C7H18N10/c1-3(15-7(13)17-5(10)11)2-14-6(12)16-4(8)9/h3H,2H2,1H3,(H6,8,9,12,14,16)(H6,10,11,13,15,17)
InChIKeyRILBKYGGCMZHAB-UHFFFAOYSA-N
XLogP-3.45
TPSA205.56 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.29
LogP ≤ 5-3.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine (CID 22639466) is 2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine is CC(C/N=C(\N)N=C(N)N)/N=C(\N)N=C(N)N.
What is the InChIKey of 2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine?
The InChIKey is RILBKYGGCMZHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N10/c1-3(15-7(13)17-5(10)11)2-14-6(12)16-4(8)9/h3H,2H2,1H3,(H6,8,9,12,14,16)(H6,10,11,13,15,17).
What are the key properties of 2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine?
2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine has a molecular weight of 242.29 g/mol, XLogP of -3.45, 3 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 22639466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).