1-(propylideneamino)guanidine

C4H10N4 — CID 176526770

IUPAC1-(propylideneamino)guanidine
SMILES[H]/N=C(\N)NN=CCC
InChIInChI=1S/C4H10N4/c1-2-3-7-8-4(5)6/h3H,2H2,1H3,(H4,5,6,8)
InChIKeyPDLUEZCGOCZWDX-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.13
Rot. Bonds2

About 1-(propylideneamino)guanidine

1-(propylideneamino)guanidine (PubChem CID 176526770) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-(propylideneamino)guanidine.

Molecular Properties

Compound Name1-(propylideneamino)guanidine
PubChem CID176526770
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name1-(propylideneamino)guanidine
SMILES[H]/N=C(\N)NN=CCC
InChIInChI=1S/C4H10N4/c1-2-3-7-8-4(5)6/h3H,2H2,1H3,(H4,5,6,8)
InChIKeyPDLUEZCGOCZWDX-UHFFFAOYSA-N
XLogP-0.13
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.13
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?
The IUPAC name of 1-(propylideneamino)guanidine (CID 176526770) is 1-(propylideneamino)guanidine.
What is the SMILES notation for 1-(propylideneamino)guanidine?
The canonical SMILES for 1-(propylideneamino)guanidine is [H]/N=C(\N)NN=CCC.
What is the InChIKey of 1-(propylideneamino)guanidine?
The InChIKey is PDLUEZCGOCZWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4/c1-2-3-7-8-4(5)6/h3H,2H2,1H3,(H4,5,6,8).
What are the key properties of 1-(propylideneamino)guanidine?
1-(propylideneamino)guanidine has a molecular weight of 114.15 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylideneamino)guanidine is sourced from PubChem (CID 176526770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).