2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine

C17H25N3O — CID 136921695

IUPAC2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\CCc1ccco1)NC1CCCCC1C
InChIInChI=1S/C17H25N3O/c1-3-11-18-17(19-12-10-15-8-6-13-21-15)20-16-9-5-4-7-14(16)2/h1,6,8,13-14,16H,4-5,7,9-12H2,2H3,(H2,18,19,20)
InChIKeyJWMIMPVILIGHDV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine

2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine (PubChem CID 136921695) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine
PubChem CID136921695
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\CCc1ccco1)NC1CCCCC1C
InChIInChI=1S/C17H25N3O/c1-3-11-18-17(19-12-10-15-8-6-13-21-15)20-16-9-5-4-7-14(16)2/h1,6,8,13-14,16H,4-5,7,9-12H2,2H3,(H2,18,19,20)
InChIKeyJWMIMPVILIGHDV-UHFFFAOYSA-N
XLogP2.57
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-enylguanidine;hydroiodide
CID 136922944
1-(1-ethylsulfonylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide
CID 110054177
2-[2-(furan-2-yl)ethyl]-1-prop-2-enyl-3-prop-2-ynylguanidine
CID 136922975
2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide
CID 110060817
2-[2-(furan-2-yl)ethyl]-1-prop-2-enyl-3-prop-2-ynylguanidine;hydroiodide
CID 136922974
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 110054555
1-butan-2-yl-2-[2-(furan-2-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide
CID 136921688
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(furan-2-yl)ethyl]-3-prop-2-ynylguanidine
CID 136922283
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979545
N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 110054875
2-[2-(furan-2-yl)ethyl]-1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-3-prop-2-enylguanidine;hydroiodide
CID 136727147

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine?
The IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine (CID 136921695) is 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine.
What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine?
The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine is C#CCN/C(=N\CCc1ccco1)NC1CCCCC1C.
What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine?
The InChIKey is JWMIMPVILIGHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-11-18-17(19-12-10-15-8-6-13-21-15)20-16-9-5-4-7-14(16)2/h1,6,8,13-14,16H,4-5,7,9-12H2,2H3,(H2,18,19,20).
What are the key properties of 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine?
2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine has a molecular weight of 287.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine is sourced from PubChem (CID 136921695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).