2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine

C13H27N3O — CID 62361644

IUPAC2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine
SMILESCCN(/C(N)=N/C1CCCCC1)C(C)COC
InChIInChI=1S/C13H27N3O/c1-4-16(11(2)10-17-3)13(14)15-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyRDIHYZAKCHZBGR-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.99
Rot. Bonds5

About 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine

2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 62361644) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine
PubChem CID62361644
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine
SMILESCCN(/C(N)=N/C1CCCCC1)C(C)COC
InChIInChI=1S/C13H27N3O/c1-4-16(11(2)10-17-3)13(14)15-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyRDIHYZAKCHZBGR-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine (CID 62361644) is 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine is CCN(/C(N)=N/C1CCCCC1)C(C)COC.
What is the InChIKey of 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is RDIHYZAKCHZBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(11(2)10-17-3)13(14)15-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine?
2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 241.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-ethyl-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 62361644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).