2-cyclohexyl-1,1,3,3-tetraethylguanidine

C15H31N3 — CID 11807199

IUPAC2-cyclohexyl-1,1,3,3-tetraethylguanidine
SMILESCCN(CC)C(=NC1CCCCC1)N(CC)CC
InChIInChI=1S/C15H31N3/c1-5-17(6-2)15(18(7-3)8-4)16-14-12-10-9-11-13-14/h14H,5-13H2,1-4H3
InChIKeyWXIMFRYSIKGKGD-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.36
Rot. Bonds5

About 2-cyclohexyl-1,1,3,3-tetraethylguanidine

2-cyclohexyl-1,1,3,3-tetraethylguanidine (PubChem CID 11807199) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-cyclohexyl-1,1,3,3-tetraethylguanidine.

Molecular Properties

Compound Name2-cyclohexyl-1,1,3,3-tetraethylguanidine
PubChem CID11807199
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-cyclohexyl-1,1,3,3-tetraethylguanidine
SMILESCCN(CC)C(=NC1CCCCC1)N(CC)CC
InChIInChI=1S/C15H31N3/c1-5-17(6-2)15(18(7-3)8-4)16-14-12-10-9-11-13-14/h14H,5-13H2,1-4H3
InChIKeyWXIMFRYSIKGKGD-UHFFFAOYSA-N
XLogP3.36
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,1,3,3-tetraethylguanidine?
The IUPAC name of 2-cyclohexyl-1,1,3,3-tetraethylguanidine (CID 11807199) is 2-cyclohexyl-1,1,3,3-tetraethylguanidine.
What is the SMILES notation for 2-cyclohexyl-1,1,3,3-tetraethylguanidine?
The canonical SMILES for 2-cyclohexyl-1,1,3,3-tetraethylguanidine is CCN(CC)C(=NC1CCCCC1)N(CC)CC.
What is the InChIKey of 2-cyclohexyl-1,1,3,3-tetraethylguanidine?
The InChIKey is WXIMFRYSIKGKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-17(6-2)15(18(7-3)8-4)16-14-12-10-9-11-13-14/h14H,5-13H2,1-4H3.
What are the key properties of 2-cyclohexyl-1,1,3,3-tetraethylguanidine?
2-cyclohexyl-1,1,3,3-tetraethylguanidine has a molecular weight of 253.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,1,3,3-tetraethylguanidine is sourced from PubChem (CID 11807199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).