2-butyl-2-naphthalen-2-ylaziridine

C16H19N — CID 101212369

IUPAC2-butyl-2-naphthalen-2-ylaziridine
SMILESCCCCC1(c2ccc3ccccc3c2)CN1
InChIInChI=1S/C16H19N/c1-2-3-10-16(12-17-16)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11,17H,2-3,10,12H2,1H3
InChIKeyHGTIKDCRGUEGRU-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.83
Rot. Bonds4

About 2-butyl-2-naphthalen-2-ylaziridine

2-butyl-2-naphthalen-2-ylaziridine (PubChem CID 101212369) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-butyl-2-naphthalen-2-ylaziridine.

Molecular Properties

Compound Name2-butyl-2-naphthalen-2-ylaziridine
PubChem CID101212369
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-butyl-2-naphthalen-2-ylaziridine
SMILESCCCCC1(c2ccc3ccccc3c2)CN1
InChIInChI=1S/C16H19N/c1-2-3-10-16(12-17-16)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11,17H,2-3,10,12H2,1H3
InChIKeyHGTIKDCRGUEGRU-UHFFFAOYSA-N
XLogP3.83
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.83
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-butyl-2-naphthalen-2-ylaziridine?
The IUPAC name of 2-butyl-2-naphthalen-2-ylaziridine (CID 101212369) is 2-butyl-2-naphthalen-2-ylaziridine.
What is the SMILES notation for 2-butyl-2-naphthalen-2-ylaziridine?
The canonical SMILES for 2-butyl-2-naphthalen-2-ylaziridine is CCCCC1(c2ccc3ccccc3c2)CN1.
What is the InChIKey of 2-butyl-2-naphthalen-2-ylaziridine?
The InChIKey is HGTIKDCRGUEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-3-10-16(12-17-16)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11,17H,2-3,10,12H2,1H3.
What are the key properties of 2-butyl-2-naphthalen-2-ylaziridine?
2-butyl-2-naphthalen-2-ylaziridine has a molecular weight of 225.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-naphthalen-2-ylaziridine is sourced from PubChem (CID 101212369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).