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

C13H25N3O2 — CID 119955540

IUPAC1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine
SMILESN/C(=N\CC1(CO)CCOCC1)NC1CCCC1
InChIInChI=1S/C13H25N3O2/c14-12(16-11-3-1-2-4-11)15-9-13(10-17)5-7-18-8-6-13/h11,17H,1-10H2,(H3,14,15,16)
InChIKeyYLJANVMOJXVTNV-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.62
Rot. Bonds4

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

1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine (PubChem CID 119955540) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine
PubChem CID119955540
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine
SMILESN/C(=N\CC1(CO)CCOCC1)NC1CCCC1
InChIInChI=1S/C13H25N3O2/c14-12(16-11-3-1-2-4-11)15-9-13(10-17)5-7-18-8-6-13/h11,17H,1-10H2,(H3,14,15,16)
InChIKeyYLJANVMOJXVTNV-UHFFFAOYSA-N
XLogP0.62
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.62
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'}

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Related Compounds

1-Cyclopentyl-2-[[4-(fluoromethyl)oxan-4-yl]methyl]guanidine
CID 122097687
1-Cyclopentyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine
CID 78929509
1-Cyclopentyl-2-[2-ethyl-2-(hydroxymethyl)butyl]guanidine
CID 103842903
1-Ethyl-3-[(1-ethylcyclopentyl)methyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 109794957
1-Ethyl-3-[(1-ethylcyclopentyl)methyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine
CID 109794958
1-[[3-(2-Hydroxyethyl)oxolan-3-yl]methyl]-2-methyl-3-pentylguanidine
CID 109812009
1-Ethyl-2-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-3-pentylguanidine
CID 109812653
2-(2,2-Diethyl-4-hydroxybutyl)-1-(3-ethoxypropyl)guanidine
CID 111716122
1-Cyclohexyl-2-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]guanidine;hydroiodide
CID 112290453
1-Cyclohexyl-2-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]guanidine
CID 112290454
1-Butyl-2-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]guanidine
CID 112290462
1-Hexyl-2-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]guanidine
CID 112290464

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine (CID 119955540) is 1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine is N/C(=N\CC1(CO)CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine?
The InChIKey is YLJANVMOJXVTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-12(16-11-3-1-2-4-11)15-9-13(10-17)5-7-18-8-6-13/h11,17H,1-10H2,(H3,14,15,16).
What are the key properties of 1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine?
1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine has a molecular weight of 255.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]guanidine is sourced from PubChem (CID 119955540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).