2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine

C17H33N3 — CID 103967055

IUPAC2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine
SMILESCC1(C)CC(N/C(N)=N/C2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C17H33N3/c1-16(2)10-14(11-17(3,4)12-16)20-15(18)19-13-8-6-5-7-9-13/h13-14H,5-12H2,1-4H3,(H3,18,19,20)
InChIKeyXVGRTPSQBVUFCO-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.83
Rot. Bonds2

About 2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine

2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine (PubChem CID 103967055) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine
PubChem CID103967055
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine
SMILESCC1(C)CC(N/C(N)=N/C2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C17H33N3/c1-16(2)10-14(11-17(3,4)12-16)20-15(18)19-13-8-6-5-7-9-13/h13-14H,5-12H2,1-4H3,(H3,18,19,20)
InChIKeyXVGRTPSQBVUFCO-UHFFFAOYSA-N
XLogP3.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
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-(3,3,5,5-tetramethylcyclohexyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine (CID 103967055) is 2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine is CC1(C)CC(N/C(N)=N/C2CCCCC2)CC(C)(C)C1.
What is the InChIKey of 2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine?
The InChIKey is XVGRTPSQBVUFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-16(2)10-14(11-17(3,4)12-16)20-15(18)19-13-8-6-5-7-9-13/h13-14H,5-12H2,1-4H3,(H3,18,19,20).
What are the key properties of 2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine?
2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine has a molecular weight of 279.47 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,3,5,5-tetramethylcyclohexyl)guanidine is sourced from PubChem (CID 103967055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).