1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

C17H24N4O — CID 111353768

IUPAC1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCCNc1ccccc1)NCCc1ccco1
InChIInChI=1S/C17H24N4O/c1-18-17(21-13-10-16-9-5-14-22-16)20-12-6-11-19-15-7-3-2-4-8-15/h2-5,7-9,14,19H,6,10-13H2,1H3,(H2,18,20,21)
InChIKeyUPMSXOHQJWILFC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.49
Rot. Bonds8

About 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (PubChem CID 111353768) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
PubChem CID111353768
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCCNc1ccccc1)NCCc1ccco1
InChIInChI=1S/C17H24N4O/c1-18-17(21-13-10-16-9-5-14-22-16)20-12-6-11-19-15-7-3-2-4-8-15/h2-5,7-9,14,19H,6,10-13H2,1H3,(H2,18,20,21)
InChIKeyUPMSXOHQJWILFC-UHFFFAOYSA-N
XLogP2.49
TPSA61.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
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-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenoxybutyl)guanidine;hydroiodide
CID 111354117
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111355969
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[4-(N-methylanilino)butyl]guanidine;hydroiodide
CID 111353747
1-(2-anilino-3-methylbutyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111353426
1-[2-(2-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111355633
1-(3-benzylsulfonylpropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111356630
1-[3-[benzyl(methyl)amino]propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111354837
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111246575
1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine
CID 111356338
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111353387
1-[2-(4-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111228882
1-[3-[di(propan-2-yl)amino]propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111692545

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (CID 111353768) is 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is C/N=C(/NCCCNc1ccccc1)NCCc1ccco1.
What is the InChIKey of 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The InChIKey is UPMSXOHQJWILFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-18-17(21-13-10-16-9-5-14-22-16)20-12-6-11-19-15-7-3-2-4-8-15/h2-5,7-9,14,19H,6,10-13H2,1H3,(H2,18,20,21).
What are the key properties of 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine has a molecular weight of 300.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111353768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).