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

C18H31N3O3 — CID 111983379

IUPAC1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
SMILESCCN/C(=N\CC(O)c1ccco1)NCCOC1CCCCCC1
InChIInChI=1S/C18H31N3O3/c1-2-19-18(21-14-16(22)17-10-7-12-24-17)20-11-13-23-15-8-5-3-4-6-9-15/h7,10,12,15-16,22H,2-6,8-9,11,13-14H2,1H3,(H2,19,20,21)
InChIKeyNQISZCXAQOYNIQ-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.61
Rot. Bonds8

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

1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine (PubChem CID 111983379) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine.

Molecular Properties

Compound Name1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
PubChem CID111983379
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
SMILESCCN/C(=N\CC(O)c1ccco1)NCCOC1CCCCCC1
InChIInChI=1S/C18H31N3O3/c1-2-19-18(21-14-16(22)17-10-7-12-24-17)20-11-13-23-15-8-5-3-4-6-9-15/h7,10,12,15-16,22H,2-6,8-9,11,13-14H2,1H3,(H2,19,20,21)
InChIKeyNQISZCXAQOYNIQ-UHFFFAOYSA-N
XLogP2.61
TPSA79.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111983378
1-butyl-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111152199
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111406614
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111277410
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-pentylguanidine;hydroiodide
CID 111130445
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256659
2-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111576020
1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine
CID 111575241
1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111576372
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111576035
N-benzyl-2-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111575519
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-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
The IUPAC name of 1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine (CID 111983379) is 1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine.
What is the SMILES notation for 1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
The canonical SMILES for 1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine is CCN/C(=N\CC(O)c1ccco1)NCCOC1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
The InChIKey is NQISZCXAQOYNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-2-19-18(21-14-16(22)17-10-7-12-24-17)20-11-13-23-15-8-5-3-4-6-9-15/h7,10,12,15-16,22H,2-6,8-9,11,13-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine?
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine has a molecular weight of 337.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine is sourced from PubChem (CID 111983379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).