2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine

C15H31N3O — CID 62363389

IUPAC2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine
SMILESCCC(CC)N(CCOC)/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H31N3O/c1-4-14(5-2)18(11-12-19-3)15(16)17-13-9-7-6-8-10-13/h13-14H,4-12H2,1-3H3,(H2,16,17)
InChIKeyGSBMHJFHGWLGLZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.77
Rot. Bonds7

About 2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine

2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine (PubChem CID 62363389) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine
PubChem CID62363389
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine
SMILESCCC(CC)N(CCOC)/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H31N3O/c1-4-14(5-2)18(11-12-19-3)15(16)17-13-9-7-6-8-10-13/h13-14H,4-12H2,1-3H3,(H2,16,17)
InChIKeyGSBMHJFHGWLGLZ-UHFFFAOYSA-N
XLogP2.77
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.77
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-(2-methoxyethyl)-1-pentan-3-ylguanidine 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-(2-methoxyethyl)-1-pentan-3-ylguanidine?
The IUPAC name of 2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine (CID 62363389) is 2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine?
The canonical SMILES for 2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine is CCC(CC)N(CCOC)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine?
The InChIKey is GSBMHJFHGWLGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-14(5-2)18(11-12-19-3)15(16)17-13-9-7-6-8-10-13/h13-14H,4-12H2,1-3H3,(H2,16,17).
What are the key properties of 2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine?
2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine has a molecular weight of 269.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methoxyethyl)-1-pentan-3-ylguanidine is sourced from PubChem (CID 62363389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).