1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine

C19H33N3O2 — CID 110051728

IUPAC1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
SMILESOCCCCCC/N=C(\NCCc1ccco1)NC1CCCCC1
InChIInChI=1S/C19H33N3O2/c23-15-7-2-1-6-13-20-19(22-17-9-4-3-5-10-17)21-14-12-18-11-8-16-24-18/h8,11,16-17,23H,1-7,9-10,12-15H2,(H2,20,21,22)
InChIKeyVFAVNNJSRJZMTA-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.24
Rot. Bonds10

About 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine

1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine (PubChem CID 110051728) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
PubChem CID110051728
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
SMILESOCCCCCC/N=C(\NCCc1ccco1)NC1CCCCC1
InChIInChI=1S/C19H33N3O2/c23-15-7-2-1-6-13-20-19(22-17-9-4-3-5-10-17)21-14-12-18-11-8-16-24-18/h8,11,16-17,23H,1-7,9-10,12-15H2,(H2,20,21,22)
InChIKeyVFAVNNJSRJZMTA-UHFFFAOYSA-N
XLogP3.24
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.24
H-Bond Donors ≤ 53
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-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938471
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353446
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine
CID 110058982
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 110954212
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide
CID 110051069
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111347622
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
CID 110052532
2-butyl-1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110056439
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)-3-(2-phenylethyl)guanidine
CID 110052394
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110958702
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110991950

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine?
The IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine (CID 110051728) is 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine?
The canonical SMILES for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine is OCCCCCC/N=C(\NCCc1ccco1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine?
The InChIKey is VFAVNNJSRJZMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c23-15-7-2-1-6-13-20-19(22-17-9-4-3-5-10-17)21-14-12-18-11-8-16-24-18/h8,11,16-17,23H,1-7,9-10,12-15H2,(H2,20,21,22).
What are the key properties of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine?
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine has a molecular weight of 335.49 g/mol, XLogP of 3.24, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine is sourced from PubChem (CID 110051728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).