1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine

C13H23N3O2 — CID 111512874

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
SMILESCCCN/C(=N/CC(C)(O)c1ccco1)NCC
InChIInChI=1S/C13H23N3O2/c1-4-8-15-12(14-5-2)16-10-13(3,17)11-7-6-9-18-11/h6-7,9,17H,4-5,8,10H2,1-3H3,(H2,14,15,16)
InChIKeyRUDDERJXTMGMBN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.45
Rot. Bonds6

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine (PubChem CID 111512874) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
PubChem CID111512874
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
SMILESCCCN/C(=N/CC(C)(O)c1ccco1)NCC
InChIInChI=1S/C13H23N3O2/c1-4-8-15-12(14-5-2)16-10-13(3,17)11-7-6-9-18-11/h6-7,9,17H,4-5,8,10H2,1-3H3,(H2,14,15,16)
InChIKeyRUDDERJXTMGMBN-UHFFFAOYSA-N
XLogP1.45
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.45
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-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-hexylguanidine
CID 111511216
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672236
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672753
1-[3-(dipropylamino)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671885
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111672364
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(3-methylsulfonylpropyl)guanidine
CID 111671498
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111672329
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)guanidine
CID 111672960
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111671557
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 111672355
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111520580
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-prop-2-enylguanidine;hydroiodide
CID 111495185

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine (CID 111512874) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine is CCCN/C(=N/CC(C)(O)c1ccco1)NCC.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine?
The InChIKey is RUDDERJXTMGMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-8-15-12(14-5-2)16-10-13(3,17)11-7-6-9-18-11/h6-7,9,17H,4-5,8,10H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine has a molecular weight of 253.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine is sourced from PubChem (CID 111512874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).