1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

C21H37N5O — CID 111022101

IUPAC1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C21H37N5O/c1-6-22-21(23-15-18(3)26-11-13-27-14-12-26)24-16-20(25(4)5)19-9-7-17(2)8-10-19/h7-10,18,20H,6,11-16H2,1-5H3,(H2,22,23,24)
InChIKeyVJUBLZMMUMXZJQ-UHFFFAOYSA-N
MW375.56 g/mol
LogP1.87
Rot. Bonds8

About 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111022101) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111022101
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C21H37N5O/c1-6-22-21(23-15-18(3)26-11-13-27-14-12-26)24-16-20(25(4)5)19-9-7-17(2)8-10-19/h7-10,18,20H,6,11-16H2,1-5H3,(H2,22,23,24)
InChIKeyVJUBLZMMUMXZJQ-UHFFFAOYSA-N
XLogP1.87
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021664
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111931827
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022063
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020744
1-[2-(dimethylamino)-2-phenylethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284200
1-ethyl-3-[2-(4-methoxyphenoxy)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111787870
1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111789038
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine
CID 111312586
1-ethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021749
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111312585

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (CID 111022101) is 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NCC(c1ccc(C)cc1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is VJUBLZMMUMXZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-6-22-21(23-15-18(3)26-11-13-27-14-12-26)24-16-20(25(4)5)19-9-7-17(2)8-10-19/h7-10,18,20H,6,11-16H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 375.56 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111022101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).