(2R,3R)-2-ethyl-3-propan-2-ylaziridine

C7H15N — CID 175613928

IUPAC(2R,3R)-2-ethyl-3-propan-2-ylaziridine
SMILESCC[C@H]1N[C@@H]1C(C)C
InChIInChI=1S/C7H15N/c1-4-6-7(8-6)5(2)3/h5-8H,4H2,1-3H3/t6-,7-/m1/s1
InChIKeyHGIWKKNUAFAESV-RNFRBKRXSA-N
MW113.20 g/mol
LogP1.39
Rot. Bonds2

About (2R,3R)-2-ethyl-3-propan-2-ylaziridine

(2R,3R)-2-ethyl-3-propan-2-ylaziridine (PubChem CID 175613928) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3-propan-2-ylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3-propan-2-ylaziridine
PubChem CID175613928
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(2R,3R)-2-ethyl-3-propan-2-ylaziridine
SMILESCC[C@H]1N[C@@H]1C(C)C
InChIInChI=1S/C7H15N/c1-4-6-7(8-6)5(2)3/h5-8H,4H2,1-3H3/t6-,7-/m1/s1
InChIKeyHGIWKKNUAFAESV-RNFRBKRXSA-N
XLogP1.39
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.39
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-ethyl-3-propan-2-ylaziridine?
The IUPAC name of (2R,3R)-2-ethyl-3-propan-2-ylaziridine (CID 175613928) is (2R,3R)-2-ethyl-3-propan-2-ylaziridine.
What is the SMILES notation for (2R,3R)-2-ethyl-3-propan-2-ylaziridine?
The canonical SMILES for (2R,3R)-2-ethyl-3-propan-2-ylaziridine is CC[C@H]1N[C@@H]1C(C)C.
What is the InChIKey of (2R,3R)-2-ethyl-3-propan-2-ylaziridine?
The InChIKey is HGIWKKNUAFAESV-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15N/c1-4-6-7(8-6)5(2)3/h5-8H,4H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-3-propan-2-ylaziridine?
(2R,3R)-2-ethyl-3-propan-2-ylaziridine has a molecular weight of 113.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-3-propan-2-ylaziridine is sourced from PubChem (CID 175613928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).