3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine

C17H33N3O2 — CID 91646365

IUPAC3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CC1CCCC1O)N(C)CCC1CCOCC1
InChIInChI=1S/C17H33N3O2/c1-3-18-17(19-13-15-5-4-6-16(15)21)20(2)10-7-14-8-11-22-12-9-14/h14-16,21H,3-13H2,1-2H3,(H,18,19)
InChIKeyASTQPXXXVKYQIC-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.86
Rot. Bonds6

About 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine

3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine (PubChem CID 91646365) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine
PubChem CID91646365
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CC1CCCC1O)N(C)CCC1CCOCC1
InChIInChI=1S/C17H33N3O2/c1-3-18-17(19-13-15-5-4-6-16(15)21)20(2)10-7-14-8-11-22-12-9-14/h14-16,21H,3-13H2,1-2H3,(H,18,19)
InChIKeyASTQPXXXVKYQIC-UHFFFAOYSA-N
XLogP1.86
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]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 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine?
The IUPAC name of 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine (CID 91646365) is 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine.
What is the SMILES notation for 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine?
The canonical SMILES for 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine is CCN/C(=N\CC1CCCC1O)N(C)CCC1CCOCC1.
What is the InChIKey of 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine?
The InChIKey is ASTQPXXXVKYQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-3-18-17(19-13-15-5-4-6-16(15)21)20(2)10-7-14-8-11-22-12-9-14/h14-16,21H,3-13H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine?
3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine has a molecular weight of 311.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2-hydroxycyclopentyl)methyl]-1-methyl-1-[2-(oxan-4-yl)ethyl]guanidine is sourced from PubChem (CID 91646365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).