2-tert-butyl-1,1,3,3-tetraethylguanidine

C13H29N3 — CID 12820357

IUPAC2-tert-butyl-1,1,3,3-tetraethylguanidine
SMILESCCN(CC)C(=NC(C)(C)C)N(CC)CC
InChIInChI=1S/C13H29N3/c1-8-15(9-2)12(14-13(5,6)7)16(10-3)11-4/h8-11H2,1-7H3
InChIKeyZWICCTLIUBBFJO-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.82
Rot. Bonds4

About 2-tert-butyl-1,1,3,3-tetraethylguanidine

2-tert-butyl-1,1,3,3-tetraethylguanidine (PubChem CID 12820357) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-tert-butyl-1,1,3,3-tetraethylguanidine.

Molecular Properties

Compound Name2-tert-butyl-1,1,3,3-tetraethylguanidine
PubChem CID12820357
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-tert-butyl-1,1,3,3-tetraethylguanidine
SMILESCCN(CC)C(=NC(C)(C)C)N(CC)CC
InChIInChI=1S/C13H29N3/c1-8-15(9-2)12(14-13(5,6)7)16(10-3)11-4/h8-11H2,1-7H3
InChIKeyZWICCTLIUBBFJO-UHFFFAOYSA-N
XLogP2.82
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
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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Related Compounds

Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride (1:1)
CID 9795249
Guanidine, N,N,N',N',N''-pentaethyl-
CID 238097
Hexaethylguanidinium bromide
CID 5744058
2-tert-Butyl-1,1,3,3-tetramethylguanidine
CID 3571581
1,1,2,3,3-Pentaisopropylguanidine
CID 10989314
N-t-butyl-N',N',N'',N''-tetramethylguanidine
CID 10219612
N''-tert-Butyl-N,N,N',N'-tetrapropan-2-ylguanidine
CID 12820362
Bis[di(propan-2-yl)amino]methylidene
CID 16656341
triethyl-(N,N,N'-triethylcarbamimidoyl)azanium chloride
CID 17906762
N-propyl-tetramethylguanidine
CID 54549543
1,3-Di-tert-butylimidazolidin-2-ylidene
CID 57648271
Bis(diethylamino)methylidene-diethylazanium
CID 5744059

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1,3,3-tetraethylguanidine?
The IUPAC name of 2-tert-butyl-1,1,3,3-tetraethylguanidine (CID 12820357) is 2-tert-butyl-1,1,3,3-tetraethylguanidine.
What is the SMILES notation for 2-tert-butyl-1,1,3,3-tetraethylguanidine?
The canonical SMILES for 2-tert-butyl-1,1,3,3-tetraethylguanidine is CCN(CC)C(=NC(C)(C)C)N(CC)CC.
What is the InChIKey of 2-tert-butyl-1,1,3,3-tetraethylguanidine?
The InChIKey is ZWICCTLIUBBFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-8-15(9-2)12(14-13(5,6)7)16(10-3)11-4/h8-11H2,1-7H3.
What are the key properties of 2-tert-butyl-1,1,3,3-tetraethylguanidine?
2-tert-butyl-1,1,3,3-tetraethylguanidine has a molecular weight of 227.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1,3,3-tetraethylguanidine is sourced from PubChem (CID 12820357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).