1-cyclopentyl-2-(2-hydroxyethyl)guanidine

C8H17N3O — CID 47086533

IUPAC1-cyclopentyl-2-(2-hydroxyethyl)guanidine
SMILESN/C(=N\CCO)NC1CCCC1
InChIInChI=1S/C8H17N3O/c9-8(10-5-6-12)11-7-3-1-2-4-7/h7,12H,1-6H2,(H3,9,10,11)
InChIKeyONGCJDJLOBZSJE-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.17
Rot. Bonds3

About 1-cyclopentyl-2-(2-hydroxyethyl)guanidine

1-cyclopentyl-2-(2-hydroxyethyl)guanidine (PubChem CID 47086533) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-hydroxyethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-hydroxyethyl)guanidine
PubChem CID47086533
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-cyclopentyl-2-(2-hydroxyethyl)guanidine
SMILESN/C(=N\CCO)NC1CCCC1
InChIInChI=1S/C8H17N3O/c9-8(10-5-6-12)11-7-3-1-2-4-7/h7,12H,1-6H2,(H3,9,10,11)
InChIKeyONGCJDJLOBZSJE-UHFFFAOYSA-N
XLogP-0.17
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.17
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 1-cyclopentyl-2-(2-hydroxyethyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2-hydroxyethyl)guanidine (CID 47086533) is 1-cyclopentyl-2-(2-hydroxyethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2-hydroxyethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2-hydroxyethyl)guanidine is N/C(=N\CCO)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-hydroxyethyl)guanidine?
The InChIKey is ONGCJDJLOBZSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(10-5-6-12)11-7-3-1-2-4-7/h7,12H,1-6H2,(H3,9,10,11).
What are the key properties of 1-cyclopentyl-2-(2-hydroxyethyl)guanidine?
1-cyclopentyl-2-(2-hydroxyethyl)guanidine has a molecular weight of 171.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-hydroxyethyl)guanidine is sourced from PubChem (CID 47086533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).