1,1,3,3-tetrapropylguanidine

C13H29N3 — CID 19361341

IUPAC1,1,3,3-tetrapropylguanidine
SMILES[H]N=C(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C13H29N3/c1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4/h14H,5-12H2,1-4H3
InChIKeyWBHLPTMSTUMKOL-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.17
Rot. Bonds8

About 1,1,3,3-tetrapropylguanidine

1,1,3,3-tetrapropylguanidine (PubChem CID 19361341) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1,1,3,3-tetrapropylguanidine.

Molecular Properties

Compound Name1,1,3,3-tetrapropylguanidine
PubChem CID19361341
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1,1,3,3-tetrapropylguanidine
SMILES[H]N=C(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C13H29N3/c1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4/h14H,5-12H2,1-4H3
InChIKeyWBHLPTMSTUMKOL-UHFFFAOYSA-N
XLogP3.17
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.17
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 1,1,3,3-tetrapropylguanidine?
The IUPAC name of 1,1,3,3-tetrapropylguanidine (CID 19361341) is 1,1,3,3-tetrapropylguanidine.
What is the SMILES notation for 1,1,3,3-tetrapropylguanidine?
The canonical SMILES for 1,1,3,3-tetrapropylguanidine is [H]N=C(N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of 1,1,3,3-tetrapropylguanidine?
The InChIKey is WBHLPTMSTUMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4/h14H,5-12H2,1-4H3.
What are the key properties of 1,1,3,3-tetrapropylguanidine?
1,1,3,3-tetrapropylguanidine has a molecular weight of 227.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrapropylguanidine is sourced from PubChem (CID 19361341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).