1,2,3-triethyl-1-propylguanidine

C10H23N3 — CID 23281967

IUPAC1,2,3-triethyl-1-propylguanidine
SMILESCCCN(CC)/C(=N\CC)NCC
InChIInChI=1S/C10H23N3/c1-5-9-13(8-4)10(11-6-2)12-7-3/h5-9H2,1-4H3,(H,11,12)
InChIKeyWDHFPUZEGZRDRQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.70
Rot. Bonds5

About 1,2,3-triethyl-1-propylguanidine

1,2,3-triethyl-1-propylguanidine (PubChem CID 23281967) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1,2,3-triethyl-1-propylguanidine.

Molecular Properties

Compound Name1,2,3-triethyl-1-propylguanidine
PubChem CID23281967
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1,2,3-triethyl-1-propylguanidine
SMILESCCCN(CC)/C(=N\CC)NCC
InChIInChI=1S/C10H23N3/c1-5-9-13(8-4)10(11-6-2)12-7-3/h5-9H2,1-4H3,(H,11,12)
InChIKeyWDHFPUZEGZRDRQ-UHFFFAOYSA-N
XLogP1.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
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 1,2,3-triethyl-1-propylguanidine?
The IUPAC name of 1,2,3-triethyl-1-propylguanidine (CID 23281967) is 1,2,3-triethyl-1-propylguanidine.
What is the SMILES notation for 1,2,3-triethyl-1-propylguanidine?
The canonical SMILES for 1,2,3-triethyl-1-propylguanidine is CCCN(CC)/C(=N\CC)NCC.
What is the InChIKey of 1,2,3-triethyl-1-propylguanidine?
The InChIKey is WDHFPUZEGZRDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-5-9-13(8-4)10(11-6-2)12-7-3/h5-9H2,1-4H3,(H,11,12).
What are the key properties of 1,2,3-triethyl-1-propylguanidine?
1,2,3-triethyl-1-propylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triethyl-1-propylguanidine is sourced from PubChem (CID 23281967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).