1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine

C16H23N3O2 — CID 62364271

IUPAC1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
SMILESN/C(=N\CCc1ccc2c(c1)OCCO2)NC1CCCC1
InChIInChI=1S/C16H23N3O2/c17-16(19-13-3-1-2-4-13)18-8-7-12-5-6-14-15(11-12)21-10-9-20-14/h5-6,11,13H,1-4,7-10H2,(H3,17,18,19)
InChIKeyFNPDIELNLUGARF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.85
Rot. Bonds4

About 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine

1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine (PubChem CID 62364271) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
PubChem CID62364271
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
SMILESN/C(=N\CCc1ccc2c(c1)OCCO2)NC1CCCC1
InChIInChI=1S/C16H23N3O2/c17-16(19-13-3-1-2-4-13)18-8-7-12-5-6-14-15(11-12)21-10-9-20-14/h5-6,11,13H,1-4,7-10H2,(H3,17,18,19)
InChIKeyFNPDIELNLUGARF-UHFFFAOYSA-N
XLogP1.85
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
CID 119147599
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethylguanidine
CID 62363493
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
1-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylguanidine
CID 116512106
1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea
CID 110775706
1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111422983
3-[[amino-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]amino]-N-cyclohexylpropanamide
CID 111075501
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenylguanidine
CID 110913854
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine (CID 62364271) is 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine is N/C(=N\CCc1ccc2c(c1)OCCO2)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine?
The InChIKey is FNPDIELNLUGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-16(19-13-3-1-2-4-13)18-8-7-12-5-6-14-15(11-12)21-10-9-20-14/h5-6,11,13H,1-4,7-10H2,(H3,17,18,19).
What are the key properties of 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine?
1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine has a molecular weight of 289.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine is sourced from PubChem (CID 62364271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).