aziridine;1,2-di(propan-2-yl)benzene

C14H23N — CID 88841585

IUPACaziridine;1,2-di(propan-2-yl)benzene
SMILESC1CN1.CC(C)c1ccccc1C(C)C
InChIInChI=1S/C12H18.C2H5N/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2-3-1/h5-10H,1-4H3;3H,1-2H2
InChIKeyYDVSQUMGKSBQKD-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.52
Rot. Bonds2

About aziridine;1,2-di(propan-2-yl)benzene

aziridine;1,2-di(propan-2-yl)benzene (PubChem CID 88841585) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is aziridine;1,2-di(propan-2-yl)benzene.

Molecular Properties

Compound Nameaziridine;1,2-di(propan-2-yl)benzene
PubChem CID88841585
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameaziridine;1,2-di(propan-2-yl)benzene
SMILESC1CN1.CC(C)c1ccccc1C(C)C
InChIInChI=1S/C12H18.C2H5N/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2-3-1/h5-10H,1-4H3;3H,1-2H2
InChIKeyYDVSQUMGKSBQKD-UHFFFAOYSA-N
XLogP3.52
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aziridine;1,2-di(propan-2-yl)benzene?
The IUPAC name of aziridine;1,2-di(propan-2-yl)benzene (CID 88841585) is aziridine;1,2-di(propan-2-yl)benzene.
What is the SMILES notation for aziridine;1,2-di(propan-2-yl)benzene?
The canonical SMILES for aziridine;1,2-di(propan-2-yl)benzene is C1CN1.CC(C)c1ccccc1C(C)C.
What is the InChIKey of aziridine;1,2-di(propan-2-yl)benzene?
The InChIKey is YDVSQUMGKSBQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C2H5N/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2-3-1/h5-10H,1-4H3;3H,1-2H2.
What are the key properties of aziridine;1,2-di(propan-2-yl)benzene?
aziridine;1,2-di(propan-2-yl)benzene has a molecular weight of 205.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine;1,2-di(propan-2-yl)benzene is sourced from PubChem (CID 88841585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).