1-(diaminomethylidene)-2-propylguanidine;hydrochloride

C5H14ClN5 — CID 54612468

IUPAC1-(diaminomethylidene)-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)N=C(N)N.Cl
InChIInChI=1S/C5H13N5.ClH/c1-2-3-9-5(8)10-4(6)7;/h2-3H2,1H3,(H6,6,7,8,9,10);1H
InChIKeyHGRYADBWOJPLHK-UHFFFAOYSA-N
MW179.66 g/mol
LogP-0.59
Rot. Bonds2

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

1-(diaminomethylidene)-2-propylguanidine;hydrochloride (PubChem CID 54612468) has the molecular formula C5H14ClN5 and a molecular weight of 179.66 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-propylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-propylguanidine;hydrochloride
PubChem CID54612468
Molecular FormulaC5H14ClN5
Molecular Weight179.66 g/mol
Exact Mass179.09
IUPAC Name1-(diaminomethylidene)-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)N=C(N)N.Cl
InChIInChI=1S/C5H13N5.ClH/c1-2-3-9-5(8)10-4(6)7;/h2-3H2,1H3,(H6,6,7,8,9,10);1H
InChIKeyHGRYADBWOJPLHK-UHFFFAOYSA-N
XLogP-0.59
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.66
LogP ≤ 5-0.59
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-propylguanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-propylguanidine;hydrochloride (CID 54612468) is 1-(diaminomethylidene)-2-propylguanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-propylguanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-propylguanidine;hydrochloride is CCC/N=C(\N)N=C(N)N.Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-propylguanidine;hydrochloride?
The InChIKey is HGRYADBWOJPLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5.ClH/c1-2-3-9-5(8)10-4(6)7;/h2-3H2,1H3,(H6,6,7,8,9,10);1H.
What are the key properties of 1-(diaminomethylidene)-2-propylguanidine;hydrochloride?
1-(diaminomethylidene)-2-propylguanidine;hydrochloride has a molecular weight of 179.66 g/mol, XLogP of -0.59, 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;hydrochloride is sourced from PubChem (CID 54612468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).