1-(propylideneamino)guanidine;hydrochloride

C4H11ClN4 — CID 176518847

IUPAC1-(propylideneamino)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)NN=CCC
InChIInChI=1S/C4H10N4.ClH/c1-2-3-7-8-4(5)6;/h3H,2H2,1H3,(H4,5,6,8);1H
InChIKeyZYUDOYMXQMXDOQ-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.29
Rot. Bonds2

About 1-(propylideneamino)guanidine;hydrochloride

1-(propylideneamino)guanidine;hydrochloride (PubChem CID 176518847) has the molecular formula C4H11ClN4 and a molecular weight of 150.61 g/mol. Its IUPAC name is 1-(propylideneamino)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(propylideneamino)guanidine;hydrochloride
PubChem CID176518847
Molecular FormulaC4H11ClN4
Molecular Weight150.61 g/mol
Exact Mass150.07
IUPAC Name1-(propylideneamino)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)NN=CCC
InChIInChI=1S/C4H10N4.ClH/c1-2-3-7-8-4(5)6;/h3H,2H2,1H3,(H4,5,6,8);1H
InChIKeyZYUDOYMXQMXDOQ-UHFFFAOYSA-N
XLogP0.29
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(propylideneamino)guanidine;hydrochloride?
The IUPAC name of 1-(propylideneamino)guanidine;hydrochloride (CID 176518847) is 1-(propylideneamino)guanidine;hydrochloride.
What is the SMILES notation for 1-(propylideneamino)guanidine;hydrochloride?
The canonical SMILES for 1-(propylideneamino)guanidine;hydrochloride is Cl.[H]/N=C(\N)NN=CCC.
What is the InChIKey of 1-(propylideneamino)guanidine;hydrochloride?
The InChIKey is ZYUDOYMXQMXDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4.ClH/c1-2-3-7-8-4(5)6;/h3H,2H2,1H3,(H4,5,6,8);1H.
What are the key properties of 1-(propylideneamino)guanidine;hydrochloride?
1-(propylideneamino)guanidine;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylideneamino)guanidine;hydrochloride is sourced from PubChem (CID 176518847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).