2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine

C14H27N — CID 146656885

IUPAC2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine
SMILESC=C(C)CC(CC)CC(C)C(C)C1CN1
InChIInChI=1S/C14H27N/c1-6-13(7-10(2)3)8-11(4)12(5)14-9-15-14/h11-15H,2,6-9H2,1,3-5H3
InChIKeyCUDFHFCPUSYPGI-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.61
Rot. Bonds7

About 2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine

2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine (PubChem CID 146656885) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine.

Molecular Properties

Compound Name2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine
PubChem CID146656885
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine
SMILESC=C(C)CC(CC)CC(C)C(C)C1CN1
InChIInChI=1S/C14H27N/c1-6-13(7-10(2)3)8-11(4)12(5)14-9-15-14/h11-15H,2,6-9H2,1,3-5H3
InChIKeyCUDFHFCPUSYPGI-UHFFFAOYSA-N
XLogP3.61
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
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-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine?
The IUPAC name of 2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine (CID 146656885) is 2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine.
What is the SMILES notation for 2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine?
The canonical SMILES for 2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine is C=C(C)CC(CC)CC(C)C(C)C1CN1.
What is the InChIKey of 2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine?
The InChIKey is CUDFHFCPUSYPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-13(7-10(2)3)8-11(4)12(5)14-9-15-14/h11-15H,2,6-9H2,1,3-5H3.
What are the key properties of 2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine?
2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine has a molecular weight of 209.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3,7-dimethyloct-7-en-2-yl)aziridine is sourced from PubChem (CID 146656885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).