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

C5H17N6O4P — CID 174852963

IUPAC2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid
SMILESNCCC/N=C(\N)N=C(N)N.O=P(O)(O)O
InChIInChI=1S/C5H14N6.H3O4P/c6-2-1-3-10-5(9)11-4(7)8;1-5(2,3)4/h1-3,6H2,(H6,7,8,9,10,11);(H3,1,2,3,4)
InChIKeyMLCVFSBQSQIHGN-UHFFFAOYSA-N
MW256.20 g/mol
LogP-3.01
Rot. Bonds3

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

2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid (PubChem CID 174852963) has the molecular formula C5H17N6O4P and a molecular weight of 256.20 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid.

Molecular Properties

Compound Name2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid
PubChem CID174852963
Molecular FormulaC5H17N6O4P
Molecular Weight256.20 g/mol
Exact Mass256.10
IUPAC Name2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid
SMILESNCCC/N=C(\N)N=C(N)N.O=P(O)(O)O
InChIInChI=1S/C5H14N6.H3O4P/c6-2-1-3-10-5(9)11-4(7)8;1-5(2,3)4/h1-3,6H2,(H6,7,8,9,10,11);(H3,1,2,3,4)
InChIKeyMLCVFSBQSQIHGN-UHFFFAOYSA-N
XLogP-3.01
TPSA206.56 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.20
LogP ≤ 5-3.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid
CID 87314580
2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
2-(aminomethyl)-1-(diaminomethylidene)guanidine
CID 123981435
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;1-phenoxyethanol
CID 174949127
ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]butanoate
CID 83034898
2-(4-aminobutyl)guanidine
CID 22560045
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;phosphoric acid
CID 70657598
2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine
CID 58517388
2-(4-aminobutyl)guanidine;sulfuric acid
CID 2794990

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid?
The IUPAC name of 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid (CID 174852963) is 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid.
What is the SMILES notation for 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid?
The canonical SMILES for 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid is NCCC/N=C(\N)N=C(N)N.O=P(O)(O)O.
What is the InChIKey of 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid?
The InChIKey is MLCVFSBQSQIHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6.H3O4P/c6-2-1-3-10-5(9)11-4(7)8;1-5(2,3)4/h1-3,6H2,(H6,7,8,9,10,11);(H3,1,2,3,4).
What are the key properties of 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid?
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid has a molecular weight of 256.20 g/mol, XLogP of -3.01, 3 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid is sourced from PubChem (CID 174852963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).