1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine

C14H25N3O3 — CID 111236327

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESC/N=C(/NCCCOCc1ccco1)NC(C)COC
InChIInChI=1S/C14H25N3O3/c1-12(10-18-3)17-14(15-2)16-7-5-8-19-11-13-6-4-9-20-13/h4,6,9,12H,5,7-8,10-11H2,1-3H3,(H2,15,16,17)
InChIKeyUVIHOGIADFEVDV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.39
Rot. Bonds9

About 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine

1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine (PubChem CID 111236327) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
PubChem CID111236327
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESC/N=C(/NCCCOCc1ccco1)NC(C)COC
InChIInChI=1S/C14H25N3O3/c1-12(10-18-3)17-14(15-2)16-7-5-8-19-11-13-6-4-9-20-13/h4,6,9,12H,5,7-8,10-11H2,1-3H3,(H2,15,16,17)
InChIKeyUVIHOGIADFEVDV-UHFFFAOYSA-N
XLogP1.39
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111235087
1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine
CID 71931000
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979106
1-[3-(furan-2-ylmethoxy)propyl]-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111399917
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398997
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111400033
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398996
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704700
1-[3-(furan-2-ylmethoxy)propyl]-3-[3-(3-methoxyphenoxy)propyl]-2-methylguanidine
CID 111797710
1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111501599
1-[2-(4-fluorophenyl)sulfanylethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111567475
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 111399811

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine (CID 111236327) is 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine is C/N=C(/NCCCOCc1ccco1)NC(C)COC.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine?
The InChIKey is UVIHOGIADFEVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-12(10-18-3)17-14(15-2)16-7-5-8-19-11-13-6-4-9-20-13/h4,6,9,12H,5,7-8,10-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine?
1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine has a molecular weight of 283.37 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine is sourced from PubChem (CID 111236327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).