2-ethyl-1-hexan-2-ylaziridine

C10H21N — CID 167041728

IUPAC2-ethyl-1-hexan-2-ylaziridine
SMILESCCCCC(C)N1CC1CC
InChIInChI=1S/C10H21N/c1-4-6-7-9(3)11-8-10(11)5-2/h9-10H,4-8H2,1-3H3
InChIKeyNUNJIOVPEZKFEF-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds5

About 2-ethyl-1-hexan-2-ylaziridine

2-ethyl-1-hexan-2-ylaziridine (PubChem CID 167041728) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-ethyl-1-hexan-2-ylaziridine.

Molecular Properties

Compound Name2-ethyl-1-hexan-2-ylaziridine
PubChem CID167041728
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-ethyl-1-hexan-2-ylaziridine
SMILESCCCCC(C)N1CC1CC
InChIInChI=1S/C10H21N/c1-4-6-7-9(3)11-8-10(11)5-2/h9-10H,4-8H2,1-3H3
InChIKeyNUNJIOVPEZKFEF-UHFFFAOYSA-N
XLogP2.66
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
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-ethyl-1-hexan-2-ylaziridine?
The IUPAC name of 2-ethyl-1-hexan-2-ylaziridine (CID 167041728) is 2-ethyl-1-hexan-2-ylaziridine.
What is the SMILES notation for 2-ethyl-1-hexan-2-ylaziridine?
The canonical SMILES for 2-ethyl-1-hexan-2-ylaziridine is CCCCC(C)N1CC1CC.
What is the InChIKey of 2-ethyl-1-hexan-2-ylaziridine?
The InChIKey is NUNJIOVPEZKFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-6-7-9(3)11-8-10(11)5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-1-hexan-2-ylaziridine?
2-ethyl-1-hexan-2-ylaziridine has a molecular weight of 155.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hexan-2-ylaziridine is sourced from PubChem (CID 167041728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).