2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine

C12H23N3O — CID 103852682

IUPAC2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine
SMILESC=CCCOCC/N=C(\N)NC1CCCC1
InChIInChI=1S/C12H23N3O/c1-2-3-9-16-10-8-14-12(13)15-11-6-4-5-7-11/h2,11H,1,3-10H2,(H3,13,14,15)
InChIKeySPENTAKWYMRHSV-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.43
Rot. Bonds7

About 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine

2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine (PubChem CID 103852682) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine.

Molecular Properties

Compound Name2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine
PubChem CID103852682
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine
SMILESC=CCCOCC/N=C(\N)NC1CCCC1
InChIInChI=1S/C12H23N3O/c1-2-3-9-16-10-8-14-12(13)15-11-6-4-5-7-11/h2,11H,1,3-10H2,(H3,13,14,15)
InChIKeySPENTAKWYMRHSV-UHFFFAOYSA-N
XLogP1.43
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine?
The IUPAC name of 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine (CID 103852682) is 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine.
What is the SMILES notation for 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine?
The canonical SMILES for 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine is C=CCCOCC/N=C(\N)NC1CCCC1.
What is the InChIKey of 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine?
The InChIKey is SPENTAKWYMRHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-3-9-16-10-8-14-12(13)15-11-6-4-5-7-11/h2,11H,1,3-10H2,(H3,13,14,15).
What are the key properties of 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine?
2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine has a molecular weight of 225.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethyl)-1-cyclopentylguanidine is sourced from PubChem (CID 103852682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).