2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine

C10H19N — CID 155107380

IUPAC2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine
SMILESC=C(C)CC1(CC(C)C)CN1
InChIInChI=1S/C10H19N/c1-8(2)5-10(7-11-10)6-9(3)4/h9,11H,1,5-7H2,2-4H3
InChIKeyPAAWXBLUCXGUQI-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds4

About 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine

2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine (PubChem CID 155107380) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine
PubChem CID155107380
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine
SMILESC=C(C)CC1(CC(C)C)CN1
InChIInChI=1S/C10H19N/c1-8(2)5-10(7-11-10)6-9(3)4/h9,11H,1,5-7H2,2-4H3
InChIKeyPAAWXBLUCXGUQI-UHFFFAOYSA-N
XLogP2.34
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine?
The IUPAC name of 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine (CID 155107380) is 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine is C=C(C)CC1(CC(C)C)CN1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine?
The InChIKey is PAAWXBLUCXGUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)5-10(7-11-10)6-9(3)4/h9,11H,1,5-7H2,2-4H3.
What are the key properties of 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine?
2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-2-(2-methylpropyl)aziridine is sourced from PubChem (CID 155107380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).