2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine

C12H23N3O2 — CID 113236757

IUPAC2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine
SMILESN/C(=N\C1CCCC1)NC1(CO)CCOCC1
InChIInChI=1S/C12H23N3O2/c13-11(14-10-3-1-2-4-10)15-12(9-16)5-7-17-8-6-12/h10,16H,1-9H2,(H3,13,14,15)
InChIKeyAVQGFYHRKDQUJS-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.37
Rot. Bonds3

About 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine

2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine (PubChem CID 113236757) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine
PubChem CID113236757
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine
SMILESN/C(=N\C1CCCC1)NC1(CO)CCOCC1
InChIInChI=1S/C12H23N3O2/c13-11(14-10-3-1-2-4-10)15-12(9-16)5-7-17-8-6-12/h10,16H,1-9H2,(H3,13,14,15)
InChIKeyAVQGFYHRKDQUJS-UHFFFAOYSA-N
XLogP0.37
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-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

Related Compounds

2-Cyclopentyl-1-[3-(hydroxymethyl)pentan-3-yl]guanidine
CID 62522502
2-Cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine
CID 106173666
[4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol
CID 106297490
[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol
CID 106297496
1-Cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 119955539
1-Cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine
CID 119955540

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine?
The IUPAC name of 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine (CID 113236757) is 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine.
What is the SMILES notation for 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine?
The canonical SMILES for 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine is N/C(=N\C1CCCC1)NC1(CO)CCOCC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine?
The InChIKey is AVQGFYHRKDQUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-11(14-10-3-1-2-4-10)15-12(9-16)5-7-17-8-6-12/h10,16H,1-9H2,(H3,13,14,15).
What are the key properties of 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine?
2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine has a molecular weight of 241.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine is sourced from PubChem (CID 113236757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).