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

C19H32N4O2 — CID 109460744

IUPAC1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESC/N=C(\NCC(C1CC1)N(C)C)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C19H32N4O2/c1-20-19(21-14-18(23(2)3)15-9-10-15)22-16-7-5-8-17(13-16)25-12-6-11-24-4/h5,7-8,13,15,18H,6,9-12,14H2,1-4H3,(H2,20,21,22)
InChIKeyWLUGLBZTYKYOAH-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.43
Rot. Bonds10

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

1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (PubChem CID 109460744) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
PubChem CID109460744
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESC/N=C(\NCC(C1CC1)N(C)C)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C19H32N4O2/c1-20-19(21-14-18(23(2)3)15-9-10-15)22-16-7-5-8-17(13-16)25-12-6-11-24-4/h5,7-8,13,15,18H,6,9-12,14H2,1-4H3,(H2,20,21,22)
InChIKeyWLUGLBZTYKYOAH-UHFFFAOYSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.43
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-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460088
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109461476
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
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109459912
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
N-cyclohexyl-3-[[N-[3-(3-methoxypropoxy)phenyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 109460342

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (CID 109460744) is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The canonical SMILES for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is C/N=C(\NCC(C1CC1)N(C)C)Nc1cccc(OCCCOC)c1.
What is the InChIKey of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The InChIKey is WLUGLBZTYKYOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-20-19(21-14-18(23(2)3)15-9-10-15)22-16-7-5-8-17(13-16)25-12-6-11-24-4/h5,7-8,13,15,18H,6,9-12,14H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine has a molecular weight of 348.49 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is sourced from PubChem (CID 109460744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).