2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine

C20H35N3O2 — CID 110060706

IUPAC2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine
SMILESCCCC/N=C(\NCCc1ccco1)NC1CCC(OC(C)C)CC1
InChIInChI=1S/C20H35N3O2/c1-4-5-13-21-20(22-14-12-18-7-6-15-24-18)23-17-8-10-19(11-9-17)25-16(2)3/h6-7,15-17,19H,4-5,8-14H2,1-3H3,(H2,21,22,23)
InChIKeyYOHNGBVQMWKLTJ-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.89
Rot. Bonds9

About 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine

2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine (PubChem CID 110060706) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine
PubChem CID110060706
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine
SMILESCCCC/N=C(\NCCc1ccco1)NC1CCC(OC(C)C)CC1
InChIInChI=1S/C20H35N3O2/c1-4-5-13-21-20(22-14-12-18-7-6-15-24-18)23-17-8-10-19(11-9-17)25-16(2)3/h6-7,15-17,19H,4-5,8-14H2,1-3H3,(H2,21,22,23)
InChIKeyYOHNGBVQMWKLTJ-UHFFFAOYSA-N
XLogP3.89
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.89
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-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(4-propan-2-yloxycyclohexyl)guanidine;hydroiodide
CID 110060761
2-butyl-1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110056439
4-[[N'-butyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxamide;hydroiodide
CID 110054981
2-butyl-1-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine
CID 110056024
2-[4-[[N'-butyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 110054620
2-butyl-1-[2-(furan-2-yl)ethyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 110058638
ethyl 4-[[N'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]cyclohexane-1-carboxylate
CID 110054966
2-[4-[[N'-butyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide;hydroiodide
CID 110054619
ethyl 4-[[N-[2-(furan-2-yl)ethyl]-N'-(4-methylpentyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111861916
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
CID 110051728
1-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111540717
1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110059677

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine?
The IUPAC name of 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine (CID 110060706) is 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine.
What is the SMILES notation for 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine?
The canonical SMILES for 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine is CCCC/N=C(\NCCc1ccco1)NC1CCC(OC(C)C)CC1.
What is the InChIKey of 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine?
The InChIKey is YOHNGBVQMWKLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-4-5-13-21-20(22-14-12-18-7-6-15-24-18)23-17-8-10-19(11-9-17)25-16(2)3/h6-7,15-17,19H,4-5,8-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine?
2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine has a molecular weight of 349.52 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-yloxycyclohexyl)guanidine is sourced from PubChem (CID 110060706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).