2-(3-ethyl-5-methylhexyl)aziridine

C11H23N — CID 138539035

IUPAC2-(3-ethyl-5-methylhexyl)aziridine
SMILESCCC(CCC1CN1)CC(C)C
InChIInChI=1S/C11H23N/c1-4-10(7-9(2)3)5-6-11-8-12-11/h9-12H,4-8H2,1-3H3
InChIKeyYOBMRRCATRMRTB-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds6

About 2-(3-ethyl-5-methylhexyl)aziridine

2-(3-ethyl-5-methylhexyl)aziridine (PubChem CID 138539035) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-(3-ethyl-5-methylhexyl)aziridine.

Molecular Properties

Compound Name2-(3-ethyl-5-methylhexyl)aziridine
PubChem CID138539035
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-(3-ethyl-5-methylhexyl)aziridine
SMILESCCC(CCC1CN1)CC(C)C
InChIInChI=1S/C11H23N/c1-4-10(7-9(2)3)5-6-11-8-12-11/h9-12H,4-8H2,1-3H3
InChIKeyYOBMRRCATRMRTB-UHFFFAOYSA-N
XLogP2.81
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
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-(3-ethyl-5-methylhexyl)aziridine?
The IUPAC name of 2-(3-ethyl-5-methylhexyl)aziridine (CID 138539035) is 2-(3-ethyl-5-methylhexyl)aziridine.
What is the SMILES notation for 2-(3-ethyl-5-methylhexyl)aziridine?
The canonical SMILES for 2-(3-ethyl-5-methylhexyl)aziridine is CCC(CCC1CN1)CC(C)C.
What is the InChIKey of 2-(3-ethyl-5-methylhexyl)aziridine?
The InChIKey is YOBMRRCATRMRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-10(7-9(2)3)5-6-11-8-12-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-(3-ethyl-5-methylhexyl)aziridine?
2-(3-ethyl-5-methylhexyl)aziridine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methylhexyl)aziridine is sourced from PubChem (CID 138539035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).