2-(3-ethylpentyl)aziridine

C9H19N — CID 54037862

IUPAC2-(3-ethylpentyl)aziridine
SMILESCCC(CC)CCC1CN1
InChIInChI=1S/C9H19N/c1-3-8(4-2)5-6-9-7-10-9/h8-10H,3-7H2,1-2H3
InChIKeyLKFWTDHETIIJQW-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds5

About 2-(3-ethylpentyl)aziridine

2-(3-ethylpentyl)aziridine (PubChem CID 54037862) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-(3-ethylpentyl)aziridine.

Molecular Properties

Compound Name2-(3-ethylpentyl)aziridine
PubChem CID54037862
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-(3-ethylpentyl)aziridine
SMILESCCC(CC)CCC1CN1
InChIInChI=1S/C9H19N/c1-3-8(4-2)5-6-9-7-10-9/h8-10H,3-7H2,1-2H3
InChIKeyLKFWTDHETIIJQW-UHFFFAOYSA-N
XLogP2.17
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
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-ethylpentyl)aziridine?
The IUPAC name of 2-(3-ethylpentyl)aziridine (CID 54037862) is 2-(3-ethylpentyl)aziridine.
What is the SMILES notation for 2-(3-ethylpentyl)aziridine?
The canonical SMILES for 2-(3-ethylpentyl)aziridine is CCC(CC)CCC1CN1.
What is the InChIKey of 2-(3-ethylpentyl)aziridine?
The InChIKey is LKFWTDHETIIJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-8(4-2)5-6-9-7-10-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(3-ethylpentyl)aziridine?
2-(3-ethylpentyl)aziridine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpentyl)aziridine is sourced from PubChem (CID 54037862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).