1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine

C13H21N3O2 — CID 119151203

IUPAC1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccoc1)NCC1CCCCO1
InChIInChI=1S/C13H21N3O2/c1-14-13(15-8-11-5-7-17-10-11)16-9-12-4-2-3-6-18-12/h5,7,10,12H,2-4,6,8-9H2,1H3,(H2,14,15,16)
InChIKeyIOEUPNKOAVERPV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds4

About 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine

1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine (PubChem CID 119151203) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
PubChem CID119151203
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccoc1)NCC1CCCCO1
InChIInChI=1S/C13H21N3O2/c1-14-13(15-8-11-5-7-17-10-11)16-9-12-4-2-3-6-18-12/h5,7,10,12H,2-4,6,8-9H2,1H3,(H2,14,15,16)
InChIKeyIOEUPNKOAVERPV-UHFFFAOYSA-N
XLogP1.51
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
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-(furan-3-ylmethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119130018
1-(1,4-dioxan-2-ylmethyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151246
1-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111792243
1-[(3-chlorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137403
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 71876154
1-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139408
1-[(4-cyclohexyloxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137367
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111137597
1-[(3-fluorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136641
1-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136601
1-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111760931
1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
CID 119151375

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine?
The IUPAC name of 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine (CID 119151203) is 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine is C/N=C(\NCc1ccoc1)NCC1CCCCO1.
What is the InChIKey of 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine?
The InChIKey is IOEUPNKOAVERPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-14-13(15-8-11-5-7-17-10-11)16-9-12-4-2-3-6-18-12/h5,7,10,12H,2-4,6,8-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine?
1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine has a molecular weight of 251.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine is sourced from PubChem (CID 119151203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).