1,1,3,3-tetrabutylguanidine

C17H37N3 — CID 3025802

IUPAC1,1,3,3-tetrabutylguanidine
SMILES[H]N=C(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C17H37N3/c1-5-9-13-19(14-10-6-2)17(18)20(15-11-7-3)16-12-8-4/h18H,5-16H2,1-4H3
InChIKeyFXJRXJXSLXNGBY-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.73
Rot. Bonds12

About 1,1,3,3-tetrabutylguanidine

1,1,3,3-tetrabutylguanidine (PubChem CID 3025802) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 1,1,3,3-tetrabutylguanidine.

Molecular Properties

Compound Name1,1,3,3-tetrabutylguanidine
PubChem CID3025802
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name1,1,3,3-tetrabutylguanidine
SMILES[H]N=C(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C17H37N3/c1-5-9-13-19(14-10-6-2)17(18)20(15-11-7-3)16-12-8-4/h18H,5-16H2,1-4H3
InChIKeyFXJRXJXSLXNGBY-UHFFFAOYSA-N
XLogP4.73
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.73
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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Related Compounds

N,N,N',N'-Tetraethylguanidine
CID 234841
Dibutylguanidine
CID 9496
Guanidine, pentabutyl-
CID 189218
Bis(dibutylamino)methylidene-dibutylazanium
CID 9889006
1,1-Dipentylguanidine
CID 21218368
Trimethyl propylguanidine
CID 54447877
n,n-Dipropyl-guanidine
CID 9494
Bis(diethylamino)methylidene-dibutylazanium
CID 13127894
N1,N1,N5,N5-tetrakis(n-butyl)biguanide hydrochloride
CID 11971743
Bis(dibutylamino)methylidene-dimethylazanium
CID 12061393
1,1,3,3-Tetrabutyl-2-methylguanidine
CID 13931796
Bis(dibutylamino)methylidene-butyl-methylazanium
CID 17752328

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrabutylguanidine?
The IUPAC name of 1,1,3,3-tetrabutylguanidine (CID 3025802) is 1,1,3,3-tetrabutylguanidine.
What is the SMILES notation for 1,1,3,3-tetrabutylguanidine?
The canonical SMILES for 1,1,3,3-tetrabutylguanidine is [H]N=C(N(CCCC)CCCC)N(CCCC)CCCC.
What is the InChIKey of 1,1,3,3-tetrabutylguanidine?
The InChIKey is FXJRXJXSLXNGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-9-13-19(14-10-6-2)17(18)20(15-11-7-3)16-12-8-4/h18H,5-16H2,1-4H3.
What are the key properties of 1,1,3,3-tetrabutylguanidine?
1,1,3,3-tetrabutylguanidine has a molecular weight of 283.50 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrabutylguanidine is sourced from PubChem (CID 3025802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).