(2R,3R)-2,3-di(propan-2-yl)aziridine

C8H17N — CID 12632531

IUPAC(2R,3R)-2,3-di(propan-2-yl)aziridine
SMILESCC(C)[C@H]1N[C@@H]1C(C)C
InChIInChI=1S/C8H17N/c1-5(2)7-8(9-7)6(3)4/h5-9H,1-4H3/t7-,8-/m1/s1
InChIKeySGIOKISJHGLFFY-HTQZYQBOSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds2

About (2R,3R)-2,3-di(propan-2-yl)aziridine

(2R,3R)-2,3-di(propan-2-yl)aziridine (PubChem CID 12632531) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2R,3R)-2,3-di(propan-2-yl)aziridine.

Molecular Properties

Compound Name(2R,3R)-2,3-di(propan-2-yl)aziridine
PubChem CID12632531
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2R,3R)-2,3-di(propan-2-yl)aziridine
SMILESCC(C)[C@H]1N[C@@H]1C(C)C
InChIInChI=1S/C8H17N/c1-5(2)7-8(9-7)6(3)4/h5-9H,1-4H3/t7-,8-/m1/s1
InChIKeySGIOKISJHGLFFY-HTQZYQBOSA-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 (2R,3R)-2,3-di(propan-2-yl)aziridine?
The IUPAC name of (2R,3R)-2,3-di(propan-2-yl)aziridine (CID 12632531) is (2R,3R)-2,3-di(propan-2-yl)aziridine.
What is the SMILES notation for (2R,3R)-2,3-di(propan-2-yl)aziridine?
The canonical SMILES for (2R,3R)-2,3-di(propan-2-yl)aziridine is CC(C)[C@H]1N[C@@H]1C(C)C.
What is the InChIKey of (2R,3R)-2,3-di(propan-2-yl)aziridine?
The InChIKey is SGIOKISJHGLFFY-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17N/c1-5(2)7-8(9-7)6(3)4/h5-9H,1-4H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2,3-di(propan-2-yl)aziridine?
(2R,3R)-2,3-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 (2R,3R)-2,3-di(propan-2-yl)aziridine is sourced from PubChem (CID 12632531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).