1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine

C19H32N4O2 — CID 111834269

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N1CCCC1)NCC1CCCC1O
InChIInChI=1S/C19H32N4O2/c1-2-20-19(21-13-15-7-5-8-17(15)24)22-14-16(18-9-6-12-25-18)23-10-3-4-11-23/h6,9,12,15-17,24H,2-5,7-8,10-11,13-14H2,1H3,(H2,20,21,22)
InChIKeyNASSDMTUDSNNSD-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.13
Rot. Bonds7

About 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine

1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine (PubChem CID 111834269) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine
PubChem CID111834269
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N1CCCC1)NCC1CCCC1O
InChIInChI=1S/C19H32N4O2/c1-2-20-19(21-13-15-7-5-8-17(15)24)22-14-16(18-9-6-12-25-18)23-10-3-4-11-23/h6,9,12,15-17,24H,2-5,7-8,10-11,13-14H2,1H3,(H2,20,21,22)
InChIKeyNASSDMTUDSNNSD-UHFFFAOYSA-N
XLogP2.13
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.13
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'}

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Related Compounds

1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111834268
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111008271
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111008270
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111765197
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111304212
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111008915
1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111838170
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111834272
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111008274
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111007726
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111008287
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine
CID 110941478

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine (CID 111834269) is 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine is CCN/C(=N\CC(c1ccco1)N1CCCC1)NCC1CCCC1O.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine?
The InChIKey is NASSDMTUDSNNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-2-20-19(21-13-15-7-5-8-17(15)24)22-14-16(18-9-6-12-25-18)23-10-3-4-11-23/h6,9,12,15-17,24H,2-5,7-8,10-11,13-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine has a molecular weight of 348.49 g/mol, XLogP of 2.13, 7 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-pyrrolidin-1-ylethyl]-3-[(2-hydroxycyclopentyl)methyl]guanidine is sourced from PubChem (CID 111834269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).