1-hexyl-2-methylaziridine

C9H19N — CID 14611245

IUPAC1-hexyl-2-methylaziridine
SMILESCCCCCCN1CC1C
InChIInChI=1S/C9H19N/c1-3-4-5-6-7-10-8-9(10)2/h9H,3-8H2,1-2H3
InChIKeyBMBUKVPRZZJLJS-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.27
Rot. Bonds5

About 1-hexyl-2-methylaziridine

1-hexyl-2-methylaziridine (PubChem CID 14611245) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-hexyl-2-methylaziridine.

Molecular Properties

Compound Name1-hexyl-2-methylaziridine
PubChem CID14611245
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-hexyl-2-methylaziridine
SMILESCCCCCCN1CC1C
InChIInChI=1S/C9H19N/c1-3-4-5-6-7-10-8-9(10)2/h9H,3-8H2,1-2H3
InChIKeyBMBUKVPRZZJLJS-UHFFFAOYSA-N
XLogP2.27
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-methylaziridine?
The IUPAC name of 1-hexyl-2-methylaziridine (CID 14611245) is 1-hexyl-2-methylaziridine.
What is the SMILES notation for 1-hexyl-2-methylaziridine?
The canonical SMILES for 1-hexyl-2-methylaziridine is CCCCCCN1CC1C.
What is the InChIKey of 1-hexyl-2-methylaziridine?
The InChIKey is BMBUKVPRZZJLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-4-5-6-7-10-8-9(10)2/h9H,3-8H2,1-2H3.
What are the key properties of 1-hexyl-2-methylaziridine?
1-hexyl-2-methylaziridine has a molecular weight of 141.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-methylaziridine is sourced from PubChem (CID 14611245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).