1,3-bis(4-methylphenyl)-1,3-diazinane

C18H22N2 — CID 22020050

IUPAC1,3-bis(4-methylphenyl)-1,3-diazinane
SMILESCc1ccc(N2CCCN(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C18H22N2/c1-15-4-8-17(9-5-15)19-12-3-13-20(14-19)18-10-6-16(2)7-11-18/h4-11H,3,12-14H2,1-2H3
InChIKeyUAKWGJLCGBZMPO-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.98
Rot. Bonds2

About 1,3-bis(4-methylphenyl)-1,3-diazinane

1,3-bis(4-methylphenyl)-1,3-diazinane (PubChem CID 22020050) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)-1,3-diazinane.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)-1,3-diazinane
PubChem CID22020050
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1,3-bis(4-methylphenyl)-1,3-diazinane
SMILESCc1ccc(N2CCCN(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C18H22N2/c1-15-4-8-17(9-5-15)19-12-3-13-20(14-19)18-10-6-16(2)7-11-18/h4-11H,3,12-14H2,1-2H3
InChIKeyUAKWGJLCGBZMPO-UHFFFAOYSA-N
XLogP3.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1,3-bis(4-methylphenyl)-1,3-diazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
CID 145031830
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
ethane;1-ethyl-4-(4-methylphenyl)-1,4-diazepane
CID 177351014
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane
CID 152824720
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
1-(2-chloro-4-pyridinyl)-4-(4-methylphenyl)-1,4-diazepane
CID 133359948
1-(4-methylphenyl)azepan-3-amine
CID 84672656
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
CID 145061539

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)-1,3-diazinane?
The IUPAC name of 1,3-bis(4-methylphenyl)-1,3-diazinane (CID 22020050) is 1,3-bis(4-methylphenyl)-1,3-diazinane.
What is the SMILES notation for 1,3-bis(4-methylphenyl)-1,3-diazinane?
The canonical SMILES for 1,3-bis(4-methylphenyl)-1,3-diazinane is Cc1ccc(N2CCCN(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)-1,3-diazinane?
The InChIKey is UAKWGJLCGBZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-15-4-8-17(9-5-15)19-12-3-13-20(14-19)18-10-6-16(2)7-11-18/h4-11H,3,12-14H2,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)-1,3-diazinane?
1,3-bis(4-methylphenyl)-1,3-diazinane has a molecular weight of 266.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)-1,3-diazinane is sourced from PubChem (CID 22020050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).