1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine

C15H26N4O — CID 75532496

IUPAC1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCCCN1CCCC1
InChIInChI=1S/C15H26N4O/c1-2-16-15(18-13-14-7-5-12-20-14)17-8-6-11-19-9-3-4-10-19/h5,7,12H,2-4,6,8-11,13H2,1H3,(H2,16,17,18)
InChIKeyGTWMQWSDIGTHQM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.82
Rot. Bonds7

About 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine

1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 75532496) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID75532496
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCCCN1CCCC1
InChIInChI=1S/C15H26N4O/c1-2-16-15(18-13-14-7-5-12-20-14)17-8-6-11-19-9-3-4-10-19/h5,7,12H,2-4,6,8-11,13H2,1H3,(H2,16,17,18)
InChIKeyGTWMQWSDIGTHQM-UHFFFAOYSA-N
XLogP1.82
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
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-[3-(4-benzylpiperazin-1-yl)propyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110937550
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 110937454
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine;hydroiodide
CID 110938777
1-ethyl-2-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110938057
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111355676
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938664
3-[[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111325086
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111785670
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110938477
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 110937925
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110937460
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111400063

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine (CID 75532496) is 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine is CCN/C(=N\Cc1ccco1)NCCCN1CCCC1.
What is the InChIKey of 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is GTWMQWSDIGTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-16-15(18-13-14-7-5-12-20-14)17-8-6-11-19-9-3-4-10-19/h5,7,12H,2-4,6,8-11,13H2,1H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine?
1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 278.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 75532496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).