1-amino-2-propylguanidine

C4H12N4 — CID 18960704

IUPAC1-amino-2-propylguanidine
SMILESCCC/N=C(\N)NN
InChIInChI=1S/C4H12N4/c1-2-3-7-4(5)8-6/h2-3,6H2,1H3,(H3,5,7,8)
InChIKeyXDAXTJGNQAAOQC-UHFFFAOYSA-N
MW116.17 g/mol
LogP-0.83
Rot. Bonds2

About 1-amino-2-propylguanidine

1-amino-2-propylguanidine (PubChem CID 18960704) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 1-amino-2-propylguanidine.

Molecular Properties

Compound Name1-amino-2-propylguanidine
PubChem CID18960704
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name1-amino-2-propylguanidine
SMILESCCC/N=C(\N)NN
InChIInChI=1S/C4H12N4/c1-2-3-7-4(5)8-6/h2-3,6H2,1H3,(H3,5,7,8)
InChIKeyXDAXTJGNQAAOQC-UHFFFAOYSA-N
XLogP-0.83
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-2-propylguanidine?
The IUPAC name of 1-amino-2-propylguanidine (CID 18960704) is 1-amino-2-propylguanidine.
What is the SMILES notation for 1-amino-2-propylguanidine?
The canonical SMILES for 1-amino-2-propylguanidine is CCC/N=C(\N)NN.
What is the InChIKey of 1-amino-2-propylguanidine?
The InChIKey is XDAXTJGNQAAOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-2-3-7-4(5)8-6/h2-3,6H2,1H3,(H3,5,7,8).
What are the key properties of 1-amino-2-propylguanidine?
1-amino-2-propylguanidine has a molecular weight of 116.17 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-propylguanidine is sourced from PubChem (CID 18960704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).