2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine

C16H25N3 — CID 62362485

IUPAC2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine
SMILESCCN(/C(N)=N/C1CCCCC1)c1ccccc1C
InChIInChI=1S/C16H25N3/c1-3-19(15-12-8-7-9-13(15)2)16(17)18-14-10-5-4-6-11-14/h7-9,12,14H,3-6,10-11H2,1-2H3,(H2,17,18)
InChIKeyIDGCDVLBIMWDTP-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.47
Rot. Bonds3

About 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine

2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine (PubChem CID 62362485) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine
PubChem CID62362485
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine
SMILESCCN(/C(N)=N/C1CCCCC1)c1ccccc1C
InChIInChI=1S/C16H25N3/c1-3-19(15-12-8-7-9-13(15)2)16(17)18-14-10-5-4-6-11-14/h7-9,12,14H,3-6,10-11H2,1-2H3,(H2,17,18)
InChIKeyIDGCDVLBIMWDTP-UHFFFAOYSA-N
XLogP3.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine (CID 62362485) is 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine is CCN(/C(N)=N/C1CCCCC1)c1ccccc1C.
What is the InChIKey of 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine?
The InChIKey is IDGCDVLBIMWDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-19(15-12-8-7-9-13(15)2)16(17)18-14-10-5-4-6-11-14/h7-9,12,14H,3-6,10-11H2,1-2H3,(H2,17,18).
What are the key properties of 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine?
2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine has a molecular weight of 259.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine is sourced from PubChem (CID 62362485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).