1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine

C20H30N4O3 — CID 109461476

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESC/N=C(\NCC(c1ccco1)N(C)C)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C20H30N4O3/c1-21-20(22-15-18(24(2)3)19-10-6-12-27-19)23-16-8-5-9-17(14-16)26-13-7-11-25-4/h5-6,8-10,12,14,18H,7,11,13,15H2,1-4H3,(H2,21,22,23)
InChIKeyYHFYRIYXPXFIQH-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.99
Rot. Bonds10

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (PubChem CID 109461476) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
PubChem CID109461476
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESC/N=C(\NCC(c1ccco1)N(C)C)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C20H30N4O3/c1-21-20(22-15-18(24(2)3)19-10-6-12-27-19)23-16-8-5-9-17(14-16)26-13-7-11-25-4/h5-6,8-10,12,14,18H,7,11,13,15H2,1-4H3,(H2,21,22,23)
InChIKeyYHFYRIYXPXFIQH-UHFFFAOYSA-N
XLogP2.99
TPSA71.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460088
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460744
1-(2-methoxy-3,3-dimethylbutyl)-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460678
1-[3-(3-methoxypropoxy)phenyl]-2,3-dimethylguanidine
CID 109462402
1-(2-methoxy-2-phenylethyl)-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109460347
N-[3-[[N-[3-(3-methoxypropoxy)phenyl]-N'-methylcarbamimidoyl]amino]propyl]-3-methylfuran-2-carboxamide
CID 109459924
1-[3-[di(propan-2-yl)amino]propyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461399
1-[3-(4-methoxyphenoxy)propyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109462158
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-(4-phenoxybutyl)guanidine;hydroiodide
CID 109460371
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109462046
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 109460785
1-[(3-chlorophenyl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460424

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (CID 109461476) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is C/N=C(\NCC(c1ccco1)N(C)C)Nc1cccc(OCCCOC)c1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The InChIKey is YHFYRIYXPXFIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-21-20(22-15-18(24(2)3)19-10-6-12-27-19)23-16-8-5-9-17(14-16)26-13-7-11-25-4/h5-6,8-10,12,14,18H,7,11,13,15H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine has a molecular weight of 374.49 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is sourced from PubChem (CID 109461476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).