1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine

C14H23N3O2 — CID 86782106

IUPAC1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccco1)NCC1CCCC1OC
InChIInChI=1S/C14H23N3O2/c1-15-14(17-10-12-6-4-8-19-12)16-9-11-5-3-7-13(11)18-2/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyYEKILUUIFZBTPS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine

1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine (PubChem CID 86782106) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine
PubChem CID86782106
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccco1)NCC1CCCC1OC
InChIInChI=1S/C14H23N3O2/c1-15-14(17-10-12-6-4-8-19-12)16-9-11-5-3-7-13(11)18-2/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyYEKILUUIFZBTPS-UHFFFAOYSA-N
XLogP1.76
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110991138
1-[(1,1-dioxothian-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 91660388
1-(furan-2-ylmethyl)-2-methyl-3-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972939
1-(furan-2-ylmethyl)-2-methyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110934528
1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 110933655
1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111235087
tert-butyl 4-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110934744
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 56801277
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110934362
1-(furan-2-ylmethyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 110934822
1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675
2-[[N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111564135

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine (CID 86782106) is 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine is C/N=C(\NCc1ccco1)NCC1CCCC1OC.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine?
The InChIKey is YEKILUUIFZBTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-15-14(17-10-12-6-4-8-19-12)16-9-11-5-3-7-13(11)18-2/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine?
1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine has a molecular weight of 265.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine is sourced from PubChem (CID 86782106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).