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

C15H27N3O3 — CID 71931000

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine
SMILESC/N=C(/NCCCOCc1ccco1)NCCC(C)OC
InChIInChI=1S/C15H27N3O3/c1-13(19-3)7-9-18-15(16-2)17-8-5-10-20-12-14-6-4-11-21-14/h4,6,11,13H,5,7-10,12H2,1-3H3,(H2,16,17,18)
InChIKeyROLGUGSZCZFAOX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.78
Rot. Bonds10

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

1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine (PubChem CID 71931000) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine
PubChem CID71931000
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine
SMILESC/N=C(/NCCCOCc1ccco1)NCCC(C)OC
InChIInChI=1S/C15H27N3O3/c1-13(19-3)7-9-18-15(16-2)17-8-5-10-20-12-14-6-4-11-21-14/h4,6,11,13H,5,7-10,12H2,1-3H3,(H2,16,17,18)
InChIKeyROLGUGSZCZFAOX-UHFFFAOYSA-N
XLogP1.78
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.78
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-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979106
1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111236327
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-[2-(4-fluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111229849
1-[2-(3-fluorophenoxy)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111503621
1-[2-(4-fluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111229848
1-[3-(furan-2-ylmethoxy)propyl]-3-[3-(3-methoxyphenoxy)propyl]-2-methylguanidine
CID 111797710
1-[2-(2-chlorophenoxy)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111499771
1-[4-(4-fluorophenoxy)butyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398428

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine (CID 71931000) is 1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine is C/N=C(/NCCCOCc1ccco1)NCCC(C)OC.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine?
The InChIKey is ROLGUGSZCZFAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-13(19-3)7-9-18-15(16-2)17-8-5-10-20-12-14-6-4-11-21-14/h4,6,11,13H,5,7-10,12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine?
1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine has a molecular weight of 297.40 g/mol, XLogP of 1.78, 10 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-(3-methoxybutyl)-2-methylguanidine is sourced from PubChem (CID 71931000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).