2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine

C19H30N4O2 — CID 111083721

IUPAC2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/Cc1ccc(C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H30N4O2/c1-5-22(6-2)19(20)21-11-16-7-9-17(10-8-16)18(24)23-12-14(3)25-15(4)13-23/h7-10,14-15H,5-6,11-13H2,1-4H3,(H2,20,21)
InChIKeyHJULPLRFWLJKFA-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.09
Rot. Bonds5

About 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine

2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine (PubChem CID 111083721) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine.

Molecular Properties

Compound Name2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine
PubChem CID111083721
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/Cc1ccc(C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H30N4O2/c1-5-22(6-2)19(20)21-11-16-7-9-17(10-8-16)18(24)23-12-14(3)25-15(4)13-23/h7-10,14-15H,5-6,11-13H2,1-4H3,(H2,20,21)
InChIKeyHJULPLRFWLJKFA-UHFFFAOYSA-N
XLogP2.09
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111083743
1-butyl-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]guanidine
CID 111083701
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111083730
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
1-cyclopropyl-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 110988067
N'-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111083767
N'-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111210198
1-butyl-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111151227
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111083753
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255728
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 111183042

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine?
The IUPAC name of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine (CID 111083721) is 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine.
What is the SMILES notation for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine?
The canonical SMILES for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine is CCN(CC)/C(N)=N/Cc1ccc(C(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine?
The InChIKey is HJULPLRFWLJKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-22(6-2)19(20)21-11-16-7-9-17(10-8-16)18(24)23-12-14(3)25-15(4)13-23/h7-10,14-15H,5-6,11-13H2,1-4H3,(H2,20,21).
What are the key properties of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine?
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine has a molecular weight of 346.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine is sourced from PubChem (CID 111083721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).