2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid

C5H17BN6O3 — CID 87314580

IUPAC2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid
SMILESNCCC/N=C(\N)N=C(N)N.OB(O)O
InChIInChI=1S/C5H14N6.BH3O3/c6-2-1-3-10-5(9)11-4(7)8;2-1(3)4/h1-3,6H2,(H6,7,8,9,10,11);2-4H
InChIKeySVLKCZJGQKNKKB-UHFFFAOYSA-N
MW220.04 g/mol
LogP-4.13
Rot. Bonds3

About 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid

2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid (PubChem CID 87314580) has the molecular formula C5H17BN6O3 and a molecular weight of 220.04 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid.

Molecular Properties

Compound Name2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid
PubChem CID87314580
Molecular FormulaC5H17BN6O3
Molecular Weight220.04 g/mol
Exact Mass220.15
IUPAC Name2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid
SMILESNCCC/N=C(\N)N=C(N)N.OB(O)O
InChIInChI=1S/C5H14N6.BH3O3/c6-2-1-3-10-5(9)11-4(7)8;2-1(3)4/h1-3,6H2,(H6,7,8,9,10,11);2-4H
InChIKeySVLKCZJGQKNKKB-UHFFFAOYSA-N
XLogP-4.13
TPSA189.49 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.04
LogP ≤ 5-4.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid
CID 174852963
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
2-(aminomethyl)-1-(diaminomethylidene)guanidine
CID 123981435
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;1-phenoxyethanol
CID 174949127
2-(4-aminobutyl)guanidine
CID 22560045
2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine
CID 58517388
2-(3-aminopropyl)-1-[N'-(3-aminopropyl)carbamimidoyl]guanidine
CID 150669227
ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]butanoate
CID 83034898
1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 83037161

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid?
The IUPAC name of 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid (CID 87314580) is 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid.
What is the SMILES notation for 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid?
The canonical SMILES for 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid is NCCC/N=C(\N)N=C(N)N.OB(O)O.
What is the InChIKey of 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid?
The InChIKey is SVLKCZJGQKNKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6.BH3O3/c6-2-1-3-10-5(9)11-4(7)8;2-1(3)4/h1-3,6H2,(H6,7,8,9,10,11);2-4H.
What are the key properties of 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid?
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid has a molecular weight of 220.04 g/mol, XLogP of -4.13, 3 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid is sourced from PubChem (CID 87314580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).