1-(dimethylamino)-2-propylguanidine

C6H16N4 — CID 83026391

IUPAC1-(dimethylamino)-2-propylguanidine
SMILESCCC/N=C(\N)NN(C)C
InChIInChI=1S/C6H16N4/c1-4-5-8-6(7)9-10(2)3/h4-5H2,1-3H3,(H3,7,8,9)
InChIKeyQSRQWVUDMHLUEG-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.22
Rot. Bonds3

About 1-(dimethylamino)-2-propylguanidine

1-(dimethylamino)-2-propylguanidine (PubChem CID 83026391) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(dimethylamino)-2-propylguanidine.

Molecular Properties

Compound Name1-(dimethylamino)-2-propylguanidine
PubChem CID83026391
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name1-(dimethylamino)-2-propylguanidine
SMILESCCC/N=C(\N)NN(C)C
InChIInChI=1S/C6H16N4/c1-4-5-8-6(7)9-10(2)3/h4-5H2,1-3H3,(H3,7,8,9)
InChIKeyQSRQWVUDMHLUEG-UHFFFAOYSA-N
XLogP-0.22
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
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-(dimethylamino)-2-propylguanidine?
The IUPAC name of 1-(dimethylamino)-2-propylguanidine (CID 83026391) is 1-(dimethylamino)-2-propylguanidine.
What is the SMILES notation for 1-(dimethylamino)-2-propylguanidine?
The canonical SMILES for 1-(dimethylamino)-2-propylguanidine is CCC/N=C(\N)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-propylguanidine?
The InChIKey is QSRQWVUDMHLUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-4-5-8-6(7)9-10(2)3/h4-5H2,1-3H3,(H3,7,8,9).
What are the key properties of 1-(dimethylamino)-2-propylguanidine?
1-(dimethylamino)-2-propylguanidine has a molecular weight of 144.22 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-propylguanidine is sourced from PubChem (CID 83026391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).