N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine

C13H19N3O — CID 171055873

IUPACN-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
SMILESCOc1ccc(N=C2N(C)CCCN2C)cc1
InChIInChI=1S/C13H19N3O/c1-15-9-4-10-16(2)13(15)14-11-5-7-12(17-3)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyHJOJETDRILYXOS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.95
Rot. Bonds2

About N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine

N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine (PubChem CID 171055873) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
PubChem CID171055873
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
SMILESCOc1ccc(N=C2N(C)CCCN2C)cc1
InChIInChI=1S/C13H19N3O/c1-15-9-4-10-16(2)13(15)14-11-5-7-12(17-3)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyHJOJETDRILYXOS-UHFFFAOYSA-N
XLogP1.95
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)-[(E)-(1-methylpyrrolidin-2-ylidene)methyl]diazene
CID 44579194
N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine
CID 138974484
(4-methoxyphenyl)-piperidin-1-yldiazene
CID 12535070
N-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-imine
CID 19962585
4-benzyl-N,3-bis(4-methoxyphenyl)-1-methylimidazolidin-2-imine
CID 102106544
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone
CID 10682780
1-(4-methoxyphenyl)piperidine
CID 10130315
(5Z)-5-(chloromethylidene)-N-(4-methoxyphenyl)-3-methyl-1,3-oxazolidin-2-imine
CID 177393210
3-ethyl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-5-methyl-1,3,4-thiadiazol-2-imine
CID 15125473
(4-methoxyphenyl)-methyldiazene
CID 20589170
(5Z)-N-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
CID 155541067
2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine (CID 171055873) is N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine is COc1ccc(N=C2N(C)CCCN2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine?
The InChIKey is HJOJETDRILYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-9-4-10-16(2)13(15)14-11-5-7-12(17-3)8-6-11/h5-8H,4,9-10H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine?
N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine has a molecular weight of 233.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine is sourced from PubChem (CID 171055873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).