1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine

C16H25N3O — CID 119115657

IUPAC1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
SMILESc1coc(CC/N=C(/NC2CCCCC2)NC2CC2)c1
InChIInChI=1S/C16H25N3O/c1-2-5-13(6-3-1)18-16(19-14-8-9-14)17-11-10-15-7-4-12-20-15/h4,7,12-14H,1-3,5-6,8-11H2,(H2,17,18,19)
InChIKeyVCHNDTOBYUCFIE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.85
Rot. Bonds5

About 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine

1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 119115657) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
PubChem CID119115657
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
SMILESc1coc(CC/N=C(/NC2CCCCC2)NC2CC2)c1
InChIInChI=1S/C16H25N3O/c1-2-5-13(6-3-1)18-16(19-14-8-9-14)17-11-10-15-7-4-12-20-15/h4,7,12-14H,1-3,5-6,8-11H2,(H2,17,18,19)
InChIKeyVCHNDTOBYUCFIE-UHFFFAOYSA-N
XLogP2.85
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.85
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'}

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Related Compounds

1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979545
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111356294
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054165
1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054414
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059883
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 110055329
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
1-cyclopentyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110057085
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
CID 110051728

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine (CID 119115657) is 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine is c1coc(CC/N=C(/NC2CCCCC2)NC2CC2)c1.
What is the InChIKey of 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is VCHNDTOBYUCFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-5-13(6-3-1)18-16(19-14-8-9-14)17-11-10-15-7-4-12-20-15/h4,7,12-14H,1-3,5-6,8-11H2,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine?
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 275.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 119115657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).