N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide

C15H22BrN5O — CID 122679646

IUPACN-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide
SMILESC/N=C(\N(C)Cc1ccc(Br)cc1)N1CN(C)C(=O)N(C)C1
InChIInChI=1S/C15H22BrN5O/c1-17-14(21-10-19(3)15(22)20(4)11-21)18(2)9-12-5-7-13(16)8-6-12/h5-8H,9-11H2,1-4H3/b17-14+
InChIKeyMUKHOOBUDWNZTF-SAPNQHFASA-N
MW368.28 g/mol
LogP2.08
Rot. Bonds2

About N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide

N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide (PubChem CID 122679646) has the molecular formula C15H22BrN5O and a molecular weight of 368.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide
PubChem CID122679646
Molecular FormulaC15H22BrN5O
Molecular Weight368.28 g/mol
Exact Mass367.10
IUPAC NameN-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide
SMILESC/N=C(\N(C)Cc1ccc(Br)cc1)N1CN(C)C(=O)N(C)C1
InChIInChI=1S/C15H22BrN5O/c1-17-14(21-10-19(3)15(22)20(4)11-21)18(2)9-12-5-7-13(16)8-6-12/h5-8H,9-11H2,1-4H3/b17-14+
InChIKeyMUKHOOBUDWNZTF-SAPNQHFASA-N
XLogP2.08
TPSA42.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.08
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-[(4-bromophenyl)methyl]-N-methyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 9159247
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CID 111500787
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
2-amino-1-[(4-bromophenyl)methyl]-1-methylguanidine
CID 77053986
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
1-[(4-bromophenyl)methyl]-3-(cyclopropylmethyl)-1,2-dimethylguanidine;hydroiodide
CID 111292858
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111293311
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111293399
N-[(4-bromophenyl)methyl]-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864977
1-[(4-bromophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720946
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-prop-2-enylguanidine
CID 111293025
1-[(4-bromophenyl)methyl]-2,3-diethyl-1-methylguanidine
CID 111292777

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide (CID 122679646) is N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide is C/N=C(\N(C)Cc1ccc(Br)cc1)N1CN(C)C(=O)N(C)C1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide?
The InChIKey is MUKHOOBUDWNZTF-SAPNQHFASA-N. The full InChI is InChI=1S/C15H22BrN5O/c1-17-14(21-10-19(3)15(22)20(4)11-21)18(2)9-12-5-7-13(16)8-6-12/h5-8H,9-11H2,1-4H3/b17-14+.
What are the key properties of N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide?
N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide has a molecular weight of 368.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N,N',3,5-tetramethyl-4-oxo-1,3,5-triazinane-1-carboximidamide is sourced from PubChem (CID 122679646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).