2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine

C19H30N4O2 — CID 111083743

IUPAC2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCC1CN(C(=O)c2ccc(CN=C(N(C)C)N(C)C)cc2)CC(C)O1
InChIInChI=1S/C19H30N4O2/c1-14-12-23(13-15(2)25-14)18(24)17-9-7-16(8-10-17)11-20-19(21(3)4)22(5)6/h7-10,14-15H,11-13H2,1-6H3
InChIKeyONMZHEXZPMYVPX-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.92
Rot. Bonds3

About 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine

2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111083743) 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]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine
PubChem CID111083743
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCC1CN(C(=O)c2ccc(CN=C(N(C)C)N(C)C)cc2)CC(C)O1
InChIInChI=1S/C19H30N4O2/c1-14-12-23(13-15(2)25-14)18(24)17-9-7-16(8-10-17)11-20-19(21(3)4)22(5)6/h7-10,14-15H,11-13H2,1-6H3
InChIKeyONMZHEXZPMYVPX-UHFFFAOYSA-N
XLogP1.92
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.92
H-Bond Donors ≤ 50
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-diethylguanidine
CID 111083721
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
1-butyl-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]guanidine
CID 111083701
1-cyclopropyl-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 110988067
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111083730
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
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 27660858
2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile
CID 82179212
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255728

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine (CID 111083743) is 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine is CC1CN(C(=O)c2ccc(CN=C(N(C)C)N(C)C)cc2)CC(C)O1.
What is the InChIKey of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is ONMZHEXZPMYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-12-23(13-15(2)25-14)18(24)17-9-7-16(8-10-17)11-20-19(21(3)4)22(5)6/h7-10,14-15H,11-13H2,1-6H3.
What are the key properties of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine?
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 346.48 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 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]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111083743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).