1-(diaminomethylidene)-2-propylguanidine;dihydrochloride

C5H15Cl2N5 — CID 45053542

IUPAC1-(diaminomethylidene)-2-propylguanidine;dihydrochloride
SMILESCCC/N=C(\N)N=C(N)N.Cl.Cl
InChIInChI=1S/C5H13N5.2ClH/c1-2-3-9-5(8)10-4(6)7;;/h2-3H2,1H3,(H6,6,7,8,9,10);2*1H
InChIKeyKENDAMGAPHPFON-UHFFFAOYSA-N
MW216.12 g/mol
LogP-0.17
Rot. Bonds2

About 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride

1-(diaminomethylidene)-2-propylguanidine;dihydrochloride (PubChem CID 45053542) has the molecular formula C5H15Cl2N5 and a molecular weight of 216.12 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-propylguanidine;dihydrochloride
PubChem CID45053542
Molecular FormulaC5H15Cl2N5
Molecular Weight216.12 g/mol
Exact Mass215.07
IUPAC Name1-(diaminomethylidene)-2-propylguanidine;dihydrochloride
SMILESCCC/N=C(\N)N=C(N)N.Cl.Cl
InChIInChI=1S/C5H13N5.2ClH/c1-2-3-9-5(8)10-4(6)7;;/h2-3H2,1H3,(H6,6,7,8,9,10);2*1H
InChIKeyKENDAMGAPHPFON-UHFFFAOYSA-N
XLogP-0.17
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride (CID 45053542) is 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride is CCC/N=C(\N)N=C(N)N.Cl.Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride?
The InChIKey is KENDAMGAPHPFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5.2ClH/c1-2-3-9-5(8)10-4(6)7;;/h2-3H2,1H3,(H6,6,7,8,9,10);2*1H.
What are the key properties of 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride?
1-(diaminomethylidene)-2-propylguanidine;dihydrochloride has a molecular weight of 216.12 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-propylguanidine;dihydrochloride is sourced from PubChem (CID 45053542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).