1,1,2,3-tetrapropylguanidine

C13H29N3 — CID 54114030

IUPAC1,1,2,3-tetrapropylguanidine
SMILESCCC/N=C(/NCCC)N(CCC)CCC
InChIInChI=1S/C13H29N3/c1-5-9-14-13(15-10-6-2)16(11-7-3)12-8-4/h5-12H2,1-4H3,(H,14,15)
InChIKeyGAHFPEJTVMJDNI-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.87
Rot. Bonds8

About 1,1,2,3-tetrapropylguanidine

1,1,2,3-tetrapropylguanidine (PubChem CID 54114030) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1,1,2,3-tetrapropylguanidine.

Molecular Properties

Compound Name1,1,2,3-tetrapropylguanidine
PubChem CID54114030
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1,1,2,3-tetrapropylguanidine
SMILESCCC/N=C(/NCCC)N(CCC)CCC
InChIInChI=1S/C13H29N3/c1-5-9-14-13(15-10-6-2)16(11-7-3)12-8-4/h5-12H2,1-4H3,(H,14,15)
InChIKeyGAHFPEJTVMJDNI-UHFFFAOYSA-N
XLogP2.87
TPSA27.63 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 ≤ 52.87
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 1,1,2,3-tetrapropylguanidine?
The IUPAC name of 1,1,2,3-tetrapropylguanidine (CID 54114030) is 1,1,2,3-tetrapropylguanidine.
What is the SMILES notation for 1,1,2,3-tetrapropylguanidine?
The canonical SMILES for 1,1,2,3-tetrapropylguanidine is CCC/N=C(/NCCC)N(CCC)CCC.
What is the InChIKey of 1,1,2,3-tetrapropylguanidine?
The InChIKey is GAHFPEJTVMJDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-9-14-13(15-10-6-2)16(11-7-3)12-8-4/h5-12H2,1-4H3,(H,14,15).
What are the key properties of 1,1,2,3-tetrapropylguanidine?
1,1,2,3-tetrapropylguanidine has a molecular weight of 227.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrapropylguanidine is sourced from PubChem (CID 54114030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).