1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine

C15H22N4O — CID 122082680

IUPAC1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine
SMILESCN(C)C(=NCc1cccc(N2CCC2=O)c1)N(C)C
InChIInChI=1S/C15H22N4O/c1-17(2)15(18(3)4)16-11-12-6-5-7-13(10-12)19-9-8-14(19)20/h5-7,10H,8-9,11H2,1-4H3
InChIKeyUGIJCPZNLXSNNR-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.40
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine

1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine (PubChem CID 122082680) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine
PubChem CID122082680
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine
SMILESCN(C)C(=NCc1cccc(N2CCC2=O)c1)N(C)C
InChIInChI=1S/C15H22N4O/c1-17(2)15(18(3)4)16-11-12-6-5-7-13(10-12)19-9-8-14(19)20/h5-7,10H,8-9,11H2,1-4H3
InChIKeyUGIJCPZNLXSNNR-UHFFFAOYSA-N
XLogP1.40
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide
CID 120728055
4-(4-fluorophenyl)-N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]piperazine-1-carboximidamide
CID 120728079
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine
CID 111072853
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1,1,3,3-tetramethyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082165
1-(3-ethylphenyl)-1,4-diazepane-2,5-dione
CID 64959098
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one
CID 120972725
[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate
CID 78895132

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine (CID 122082680) is 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine is CN(C)C(=NCc1cccc(N2CCC2=O)c1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine?
The InChIKey is UGIJCPZNLXSNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-17(2)15(18(3)4)16-11-12-6-5-7-13(10-12)19-9-8-14(19)20/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine?
1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine has a molecular weight of 274.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine is sourced from PubChem (CID 122082680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).