2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine

C9H19N3O — CID 62522145

IUPAC2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESCC/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C9H19N3O/c1-2-11-8(10)12-9(7-13)5-3-4-6-9/h13H,2-7H2,1H3,(H3,10,11,12)
InChIKeyYJSBMCIKBFHMDL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.22
Rot. Bonds3

About 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine

2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine (PubChem CID 62522145) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine.

Molecular Properties

Compound Name2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
PubChem CID62522145
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESCC/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C9H19N3O/c1-2-11-8(10)12-9(7-13)5-3-4-6-9/h13H,2-7H2,1H3,(H3,10,11,12)
InChIKeyYJSBMCIKBFHMDL-UHFFFAOYSA-N
XLogP0.22
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The IUPAC name of 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine (CID 62522145) is 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine.
What is the SMILES notation for 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The canonical SMILES for 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine is CC/N=C(\N)NC1(CO)CCCC1.
What is the InChIKey of 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The InChIKey is YJSBMCIKBFHMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-11-8(10)12-9(7-13)5-3-4-6-9/h13H,2-7H2,1H3,(H3,10,11,12).
What are the key properties of 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine is sourced from PubChem (CID 62522145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).