1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine

C16H28N4O2 — CID 111672692

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC1CCCN1C
InChIInChI=1S/C16H28N4O2/c1-4-17-15(18-11-13-7-5-9-20(13)3)19-12-16(2,21)14-8-6-10-22-14/h6,8,10,13,21H,4-5,7,9,11-12H2,1-3H3,(H2,17,18,19)
InChIKeyORYRARYFJLEQSS-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.14
Rot. Bonds6

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine (PubChem CID 111672692) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
PubChem CID111672692
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC1CCCN1C
InChIInChI=1S/C16H28N4O2/c1-4-17-15(18-11-13-7-5-9-20(13)3)19-12-16(2,21)14-8-6-10-22-14/h6,8,10,13,21H,4-5,7,9,11-12H2,1-3H3,(H2,17,18,19)
InChIKeyORYRARYFJLEQSS-UHFFFAOYSA-N
XLogP1.14
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111664483
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 109418514
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 109418513
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111671471
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-(2-methylcyclopropyl)guanidine
CID 111671934
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111672243
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111672263
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-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111671835
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)guanidine;hydroiodide
CID 119157041

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine (CID 111672692) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCC1CCCN1C.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The InChIKey is ORYRARYFJLEQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-17-15(18-11-13-7-5-9-20(13)3)19-12-16(2,21)14-8-6-10-22-14/h6,8,10,13,21H,4-5,7,9,11-12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine has a molecular weight of 308.43 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine is sourced from PubChem (CID 111672692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).