1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine

C18H31N3O2 — CID 111256379

IUPAC1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine
SMILESCCN/C(=N\CCCOCc1ccco1)NC1CCC(C)CC1
InChIInChI=1S/C18H31N3O2/c1-3-19-18(21-16-9-7-15(2)8-10-16)20-11-5-12-22-14-17-6-4-13-23-17/h4,6,13,15-16H,3,5,7-12,14H2,1-2H3,(H2,19,20,21)
InChIKeyKBCXVPCLXARPMV-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.32
Rot. Bonds8

About 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine

1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine (PubChem CID 111256379) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine
PubChem CID111256379
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine
SMILESCCN/C(=N\CCCOCc1ccco1)NC1CCC(C)CC1
InChIInChI=1S/C18H31N3O2/c1-3-19-18(21-16-9-7-15(2)8-10-16)20-11-5-12-22-14-17-6-4-13-23-17/h4,6,13,15-16H,3,5,7-12,14H2,1-2H3,(H2,19,20,21)
InChIKeyKBCXVPCLXARPMV-UHFFFAOYSA-N
XLogP3.32
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111399106
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111388055
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111840013
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111247939
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111400063
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256659
N-[2-[[N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111399205
N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143765
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399076
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647240
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111399243

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine (CID 111256379) is 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine is CCN/C(=N\CCCOCc1ccco1)NC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine?
The InChIKey is KBCXVPCLXARPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-3-19-18(21-16-9-7-15(2)8-10-16)20-11-5-12-22-14-17-6-4-13-23-17/h4,6,13,15-16H,3,5,7-12,14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine?
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine has a molecular weight of 321.46 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine is sourced from PubChem (CID 111256379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).