1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine

C8H21N7 — CID 176524670

IUPAC1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine
SMILES[H]/N=C(\N)NCCCNCCCN=C(N)N
InChIInChI=1S/C8H21N7/c9-7(10)14-5-1-3-13-4-2-6-15-8(11)12/h13H,1-6H2,(H4,9,10,14)(H4,11,12,15)
InChIKeyNHJDFIHGXUSOKQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.89
Rot. Bonds8

About 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine

1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine (PubChem CID 176524670) has the molecular formula C8H21N7 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine.

Molecular Properties

Compound Name1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine
PubChem CID176524670
Molecular FormulaC8H21N7
Molecular Weight215.30 g/mol
Exact Mass215.19
IUPAC Name1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine
SMILES[H]/N=C(\N)NCCCNCCCN=C(N)N
InChIInChI=1S/C8H21N7/c9-7(10)14-5-1-3-13-4-2-6-15-8(11)12/h13H,1-6H2,(H4,9,10,14)(H4,11,12,15)
InChIKeyNHJDFIHGXUSOKQ-UHFFFAOYSA-N
XLogP-1.89
TPSA138.33 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.89
H-Bond Donors ≤ 56
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine?
The IUPAC name of 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine (CID 176524670) is 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine.
What is the SMILES notation for 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine?
The canonical SMILES for 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine is [H]/N=C(\N)NCCCNCCCN=C(N)N.
What is the InChIKey of 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine?
The InChIKey is NHJDFIHGXUSOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N7/c9-7(10)14-5-1-3-13-4-2-6-15-8(11)12/h13H,1-6H2,(H4,9,10,14)(H4,11,12,15).
What are the key properties of 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine?
1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine has a molecular weight of 215.30 g/mol, XLogP of -1.89, 8 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(diaminomethylideneamino)propylamino]propyl]guanidine is sourced from PubChem (CID 176524670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).