2-cyclohexyl-1,1,3,3-tetramethylguanidine

C11H23N3 — CID 525256

IUPAC2-cyclohexyl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1CCCCC1)N(C)C
InChIInChI=1S/C11H23N3/c1-13(2)11(14(3)4)12-10-8-6-5-7-9-10/h10H,5-9H2,1-4H3
InChIKeyLMDPNRIZSVFXLG-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.80
Rot. Bonds1

About 2-cyclohexyl-1,1,3,3-tetramethylguanidine

2-cyclohexyl-1,1,3,3-tetramethylguanidine (PubChem CID 525256) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-cyclohexyl-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-cyclohexyl-1,1,3,3-tetramethylguanidine
PubChem CID525256
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-cyclohexyl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1CCCCC1)N(C)C
InChIInChI=1S/C11H23N3/c1-13(2)11(14(3)4)12-10-8-6-5-7-9-10/h10H,5-9H2,1-4H3
InChIKeyLMDPNRIZSVFXLG-UHFFFAOYSA-N
XLogP1.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.80
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-tetramethylguanidine?
The IUPAC name of 2-cyclohexyl-1,1,3,3-tetramethylguanidine (CID 525256) is 2-cyclohexyl-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-cyclohexyl-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-cyclohexyl-1,1,3,3-tetramethylguanidine is CN(C)C(=NC1CCCCC1)N(C)C.
What is the InChIKey of 2-cyclohexyl-1,1,3,3-tetramethylguanidine?
The InChIKey is LMDPNRIZSVFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13(2)11(14(3)4)12-10-8-6-5-7-9-10/h10H,5-9H2,1-4H3.
What are the key properties of 2-cyclohexyl-1,1,3,3-tetramethylguanidine?
2-cyclohexyl-1,1,3,3-tetramethylguanidine has a molecular weight of 197.33 g/mol, XLogP of 1.80, 1 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-tetramethylguanidine is sourced from PubChem (CID 525256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).