1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

C19H35N5O2 — CID 111672986

IUPAC1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(C)N1CCN(CC)CC1
InChIInChI=1S/C19H35N5O2/c1-5-20-18(22-15-19(4,25)17-8-7-13-26-17)21-14-16(3)24-11-9-23(6-2)10-12-24/h7-8,13,16,25H,5-6,9-12,14-15H2,1-4H3,(H2,20,21,22)
InChIKeyCXIBKLARAAERCC-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.07
Rot. Bonds8

About 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (PubChem CID 111672986) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
PubChem CID111672986
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(C)N1CCN(CC)CC1
InChIInChI=1S/C19H35N5O2/c1-5-20-18(22-15-19(4,25)17-8-7-13-26-17)21-14-16(3)24-11-9-23(6-2)10-12-24/h7-8,13,16,25H,5-6,9-12,14-15H2,1-4H3,(H2,20,21,22)
InChIKeyCXIBKLARAAERCC-UHFFFAOYSA-N
XLogP1.07
TPSA76.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671609
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671531
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111672263
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111672110
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111655618
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672331
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-(3-methyl-2-phenylbutyl)guanidine
CID 111672750
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111007182
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111515196
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111514273

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (CID 111672986) is 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCC(C)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The InChIKey is CXIBKLARAAERCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-5-20-18(22-15-19(4,25)17-8-7-13-26-17)21-14-16(3)24-11-9-23(6-2)10-12-24/h7-8,13,16,25H,5-6,9-12,14-15H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine has a molecular weight of 365.52 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 111672986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).