1-octylaziridine

C10H21N — CID 544653

IUPAC1-octylaziridine
SMILESCCCCCCCCN1CC1
InChIInChI=1S/C10H21N/c1-2-3-4-5-6-7-8-11-9-10-11/h2-10H2,1H3
InChIKeyZPUJFEMAHSZIJA-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds7

About 1-octylaziridine

1-octylaziridine (PubChem CID 544653) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-octylaziridine.

Molecular Properties

Compound Name1-octylaziridine
PubChem CID544653
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-octylaziridine
SMILESCCCCCCCCN1CC1
InChIInChI=1S/C10H21N/c1-2-3-4-5-6-7-8-11-9-10-11/h2-10H2,1H3
InChIKeyZPUJFEMAHSZIJA-UHFFFAOYSA-N
XLogP2.66
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 80675071
(4-nonylpiperazin-1-yl)methanol
CID 574800
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980
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CID 67898434

Frequently Asked Questions

What is the IUPAC name of 1-octylaziridine?
The IUPAC name of 1-octylaziridine (CID 544653) is 1-octylaziridine.
What is the SMILES notation for 1-octylaziridine?
The canonical SMILES for 1-octylaziridine is CCCCCCCCN1CC1.
What is the InChIKey of 1-octylaziridine?
The InChIKey is ZPUJFEMAHSZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-2-3-4-5-6-7-8-11-9-10-11/h2-10H2,1H3.
What are the key properties of 1-octylaziridine?
1-octylaziridine has a molecular weight of 155.28 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylaziridine is sourced from PubChem (CID 544653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).