3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine

C15H24N2 — CID 143173718

IUPAC3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine
SMILESCc1ccc(C2N(C(C)C)N2C(C)C)cc1C
InChIInChI=1S/C15H24N2/c1-10(2)16-15(17(16)11(3)4)14-8-7-12(5)13(6)9-14/h7-11,15H,1-6H3
InChIKeyPDZIHTAJJUSRFS-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.65
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine

3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine (PubChem CID 143173718) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine
PubChem CID143173718
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine
SMILESCc1ccc(C2N(C(C)C)N2C(C)C)cc1C
InChIInChI=1S/C15H24N2/c1-10(2)16-15(17(16)11(3)4)14-8-7-12(5)13(6)9-14/h7-11,15H,1-6H3
InChIKeyPDZIHTAJJUSRFS-UHFFFAOYSA-N
XLogP3.65
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylphenyl)-2,2-dimethylcyclopropan-1-amine
CID 130488486
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894
(2S)-2-(3,4-dimethylphenyl)oxirane
CID 40580634
1-[(2S,3S)-3-(3,4-dimethylphenyl)-2-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 166143768
3-(3,4-dimethylphenyl)azetidine
CID 82280235
4-[2,4-bis(3,4-dimethylphenyl)-3-pyridin-4-ylcyclobutyl]pyridine
CID 102053725
(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine
CID 96625235
2,8,14,20-tetrakis(3,4-dimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
CID 121275263
1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one
CID 116981277
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
2-(3,4-dimethylphenyl)cyclopentan-1-ol
CID 2758610
(1R,2S,6S,7R)-4-[(2S)-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124869737

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine?
The IUPAC name of 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine (CID 143173718) is 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine is Cc1ccc(C2N(C(C)C)N2C(C)C)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine?
The InChIKey is PDZIHTAJJUSRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10(2)16-15(17(16)11(3)4)14-8-7-12(5)13(6)9-14/h7-11,15H,1-6H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine?
3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine has a molecular weight of 232.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1,2-di(propan-2-yl)diaziridine is sourced from PubChem (CID 143173718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).