2,2-di(propan-2-yl)aziridine

C8H17N — CID 58055901

IUPAC2,2-di(propan-2-yl)aziridine
SMILESCC(C)C1(C(C)C)CN1
InChIInChI=1S/C8H17N/c1-6(2)8(5-9-8)7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyWCAHRFDXQRWCSP-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds2

About 2,2-di(propan-2-yl)aziridine

2,2-di(propan-2-yl)aziridine (PubChem CID 58055901) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)aziridine.

Molecular Properties

Compound Name2,2-di(propan-2-yl)aziridine
PubChem CID58055901
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2,2-di(propan-2-yl)aziridine
SMILESCC(C)C1(C(C)C)CN1
InChIInChI=1S/C8H17N/c1-6(2)8(5-9-8)7(3)4/h6-7,9H,5H2,1-4H3
InChIKeyWCAHRFDXQRWCSP-UHFFFAOYSA-N
XLogP1.64
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.64
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 2,2-di(propan-2-yl)aziridine?
The IUPAC name of 2,2-di(propan-2-yl)aziridine (CID 58055901) is 2,2-di(propan-2-yl)aziridine.
What is the SMILES notation for 2,2-di(propan-2-yl)aziridine?
The canonical SMILES for 2,2-di(propan-2-yl)aziridine is CC(C)C1(C(C)C)CN1.
What is the InChIKey of 2,2-di(propan-2-yl)aziridine?
The InChIKey is WCAHRFDXQRWCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)8(5-9-8)7(3)4/h6-7,9H,5H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)aziridine?
2,2-di(propan-2-yl)aziridine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)aziridine is sourced from PubChem (CID 58055901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).