1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine

C11H19N3O2 — CID 111058198

IUPAC1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
SMILESCCCCN/C(N)=N/CC(O)c1ccco1
InChIInChI=1S/C11H19N3O2/c1-2-3-6-13-11(12)14-8-9(15)10-5-4-7-16-10/h4-5,7,9,15H,2-3,6,8H2,1H3,(H3,12,13,14)
InChIKeyCJILYZXQCDAGNW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.02
Rot. Bonds6

About 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine

1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine (PubChem CID 111058198) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
PubChem CID111058198
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
SMILESCCCCN/C(N)=N/CC(O)c1ccco1
InChIInChI=1S/C11H19N3O2/c1-2-3-6-13-11(12)14-8-9(15)10-5-4-7-16-10/h4-5,7,9,15H,2-3,6,8H2,1H3,(H3,12,13,14)
InChIKeyCJILYZXQCDAGNW-UHFFFAOYSA-N
XLogP1.02
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
CID 111027514
1-butyl-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111152199
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-pentylguanidine;hydroiodide
CID 111130445
N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide
CID 130666162
2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111058215
2-(2-anilino-3-methylbutyl)-1-butylguanidine
CID 111041023
2-(furan-2-ylmethyl)-1-octylguanidine
CID 111022361
2-(furan-2-ylmethyl)-1-hexylguanidine
CID 110914351
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-octylguanidine
CID 111058120
1-(4-butan-2-ylphenyl)-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058194
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
1-(furan-2-yl)decan-1-ol
CID 11085452

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
The IUPAC name of 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine (CID 111058198) is 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine.
What is the SMILES notation for 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
The canonical SMILES for 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine is CCCCN/C(N)=N/CC(O)c1ccco1.
What is the InChIKey of 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
The InChIKey is CJILYZXQCDAGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-6-13-11(12)14-8-9(15)10-5-4-7-16-10/h4-5,7,9,15H,2-3,6,8H2,1H3,(H3,12,13,14).
What are the key properties of 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine has a molecular weight of 225.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine is sourced from PubChem (CID 111058198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).