1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine

C11H19N3O2 — CID 111235087

IUPAC1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESC/N=C(/NCc1ccco1)NC(C)COC
InChIInChI=1S/C11H19N3O2/c1-9(8-15-3)14-11(12-2)13-7-10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3,(H2,12,13,14)
InChIKeyJZIXUBBYDALDPF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine

1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine (PubChem CID 111235087) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
PubChem CID111235087
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESC/N=C(/NCc1ccco1)NC(C)COC
InChIInChI=1S/C11H19N3O2/c1-9(8-15-3)14-11(12-2)13-7-10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3,(H2,12,13,14)
InChIKeyJZIXUBBYDALDPF-UHFFFAOYSA-N
XLogP0.98
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
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

N-(furan-2-ylmethyl)-3-[[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111236435
1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111236327
1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111173565
1-(furan-2-ylmethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212393
1-[5-(diethylamino)pentan-2-yl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110998865
N-[2-[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111235125
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948927
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111123829
1-[[3-(methoxymethyl)phenyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111234878
1-[(2-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111235112
2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 110933659
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 110945378

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine (CID 111235087) is 1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine is C/N=C(/NCc1ccco1)NC(C)COC.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The InChIKey is JZIXUBBYDALDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(8-15-3)14-11(12-2)13-7-10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine?
1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine has a molecular weight of 225.29 g/mol, XLogP of 0.98, 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-(1-methoxypropan-2-yl)-2-methylguanidine is sourced from PubChem (CID 111235087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).