2-ethenyl-3-hexan-3-yl-1-methylaziridine

C11H21N — CID 123324183

IUPAC2-ethenyl-3-hexan-3-yl-1-methylaziridine
SMILESC=CC1C(C(CC)CCC)N1C
InChIInChI=1S/C11H21N/c1-5-8-9(6-2)11-10(7-3)12(11)4/h7,9-11H,3,5-6,8H2,1-2,4H3
InChIKeyROLJPFKRYUBMPW-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds5

About 2-ethenyl-3-hexan-3-yl-1-methylaziridine

2-ethenyl-3-hexan-3-yl-1-methylaziridine (PubChem CID 123324183) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-ethenyl-3-hexan-3-yl-1-methylaziridine.

Molecular Properties

Compound Name2-ethenyl-3-hexan-3-yl-1-methylaziridine
PubChem CID123324183
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-ethenyl-3-hexan-3-yl-1-methylaziridine
SMILESC=CC1C(C(CC)CCC)N1C
InChIInChI=1S/C11H21N/c1-5-8-9(6-2)11-10(7-3)12(11)4/h7,9-11H,3,5-6,8H2,1-2,4H3
InChIKeyROLJPFKRYUBMPW-UHFFFAOYSA-N
XLogP2.68
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-hexan-3-yl-1-methylaziridine?
The IUPAC name of 2-ethenyl-3-hexan-3-yl-1-methylaziridine (CID 123324183) is 2-ethenyl-3-hexan-3-yl-1-methylaziridine.
What is the SMILES notation for 2-ethenyl-3-hexan-3-yl-1-methylaziridine?
The canonical SMILES for 2-ethenyl-3-hexan-3-yl-1-methylaziridine is C=CC1C(C(CC)CCC)N1C.
What is the InChIKey of 2-ethenyl-3-hexan-3-yl-1-methylaziridine?
The InChIKey is ROLJPFKRYUBMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-9(6-2)11-10(7-3)12(11)4/h7,9-11H,3,5-6,8H2,1-2,4H3.
What are the key properties of 2-ethenyl-3-hexan-3-yl-1-methylaziridine?
2-ethenyl-3-hexan-3-yl-1-methylaziridine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-hexan-3-yl-1-methylaziridine is sourced from PubChem (CID 123324183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).