1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine

C19H32N4O2 — CID 111995453

IUPAC1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
SMILESCCN/C(=N\CC(O)c1ccco1)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-2-20-19(21-12-17(24)18-8-5-11-25-18)22-16-9-10-23(14-16)13-15-6-3-4-7-15/h5,8,11,15-17,24H,2-4,6-7,9-10,12-14H2,1H3,(H2,20,21,22)
InChIKeyRHPBHDVFMBYCEC-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.13
Rot. Bonds7

About 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine

1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine (PubChem CID 111995453) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
PubChem CID111995453
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
SMILESCCN/C(=N\CC(O)c1ccco1)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-2-20-19(21-12-17(24)18-8-5-11-25-18)22-16-9-10-23(14-16)13-15-6-3-4-7-15/h5,8,11,15-17,24H,2-4,6-7,9-10,12-14H2,1H3,(H2,20,21,22)
InChIKeyRHPBHDVFMBYCEC-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-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111995443
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111995442
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111989894
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991887
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]guanidine;hydroiodide
CID 111995106
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318453
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111007407
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1-phenylpiperidin-4-yl)guanidine
CID 111992013
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256659
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111996570
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide
CID 111993538
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine
CID 111994009

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
The IUPAC name of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine (CID 111995453) is 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
The canonical SMILES for 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine is CCN/C(=N\CC(O)c1ccco1)NC1CCN(CC2CCCC2)C1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
The InChIKey is RHPBHDVFMBYCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-2-20-19(21-12-17(24)18-8-5-11-25-18)22-16-9-10-23(14-16)13-15-6-3-4-7-15/h5,8,11,15-17,24H,2-4,6-7,9-10,12-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]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-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine is sourced from PubChem (CID 111995453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).