1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine

C24H35N5OS — CID 111637348

IUPAC1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1N1CCOCC1)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C24H35N5OS/c1-2-25-23(28-19-24(10-4-3-5-11-24)21-9-7-17-31-21)27-18-20-8-6-12-26-22(20)29-13-15-30-16-14-29/h6-9,12,17H,2-5,10-11,13-16,18-19H2,1H3,(H2,25,27,28)
InChIKeyOEVDHQJPJLGCSK-UHFFFAOYSA-N
MW441.65 g/mol
LogP3.94
Rot. Bonds7

About 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine

1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine (PubChem CID 111637348) has the molecular formula C24H35N5OS and a molecular weight of 441.65 g/mol. Its IUPAC name is 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
PubChem CID111637348
Molecular FormulaC24H35N5OS
Molecular Weight441.65 g/mol
Exact Mass441.26
IUPAC Name1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1N1CCOCC1)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C24H35N5OS/c1-2-25-23(28-19-24(10-4-3-5-11-24)21-9-7-17-31-21)27-18-20-8-6-12-26-22(20)29-13-15-30-16-14-29/h6-9,12,17H,2-5,10-11,13-16,18-19H2,1H3,(H2,25,27,28)
InChIKeyOEVDHQJPJLGCSK-UHFFFAOYSA-N
XLogP3.94
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.65
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]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 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine (CID 111637348) is 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine is CCN/C(=N\Cc1cccnc1N1CCOCC1)NCC1(c2cccs2)CCCCC1.
What is the InChIKey of 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
The InChIKey is OEVDHQJPJLGCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5OS/c1-2-25-23(28-19-24(10-4-3-5-11-24)21-9-7-17-31-21)27-18-20-8-6-12-26-22(20)29-13-15-30-16-14-29/h6-9,12,17H,2-5,10-11,13-16,18-19H2,1H3,(H2,25,27,28).
What are the key properties of 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine has a molecular weight of 441.65 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 111637348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).