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

C17H29N3O2 — CID 109469798

IUPAC1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCCCOCc2ccco2)CCC1
InChIInChI=1S/C17H29N3O2/c1-3-17(8-5-9-17)14-20-16(18-2)19-10-6-11-21-13-15-7-4-12-22-15/h4,7,12H,3,5-6,8-11,13-14H2,1-2H3,(H2,18,19,20)
InChIKeyWADQFLKLRPXLQH-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.93
Rot. Bonds9

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

1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine (PubChem CID 109469798) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
PubChem CID109469798
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCCCOCc2ccco2)CCC1
InChIInChI=1S/C17H29N3O2/c1-3-17(8-5-9-17)14-20-16(18-2)19-10-6-11-21-13-15-7-4-12-22-15/h4,7,12H,3,5-6,8-11,13-14H2,1-2H3,(H2,18,19,20)
InChIKeyWADQFLKLRPXLQH-UHFFFAOYSA-N
XLogP2.93
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398997
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398996
1-(3-ethoxypropyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109469390
1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine
CID 71931000
1-[3-(furan-2-ylmethoxy)propyl]-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111399917
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111400033
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979106
1-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398893
1-(3-cyclopentyl-3-ethoxypropyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111967884
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111398736
1-[2-(4-chlorophenoxy)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111367785
1-[2-(4-fluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111229849

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine (CID 109469798) is 1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine is CCC1(CN/C(=N\C)NCCCOCc2ccco2)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine?
The InChIKey is WADQFLKLRPXLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-17(8-5-9-17)14-20-16(18-2)19-10-6-11-21-13-15-7-4-12-22-15/h4,7,12H,3,5-6,8-11,13-14H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine?
1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine has a molecular weight of 307.44 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 109469798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).