2,2,3,3-tetrabutylaziridine

C18H37N — CID 87703412

IUPAC2,2,3,3-tetrabutylaziridine
SMILESCCCCC1(CCCC)NC1(CCCC)CCCC
InChIInChI=1S/C18H37N/c1-5-9-13-17(14-10-6-2)18(19-17,15-11-7-3)16-12-8-4/h19H,5-16H2,1-4H3
InChIKeyADKTVTYZVACQPS-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.83
Rot. Bonds12

About 2,2,3,3-tetrabutylaziridine

2,2,3,3-tetrabutylaziridine (PubChem CID 87703412) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2,2,3,3-tetrabutylaziridine.

Molecular Properties

Compound Name2,2,3,3-tetrabutylaziridine
PubChem CID87703412
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2,2,3,3-tetrabutylaziridine
SMILESCCCCC1(CCCC)NC1(CCCC)CCCC
InChIInChI=1S/C18H37N/c1-5-9-13-17(14-10-6-2)18(19-17,15-11-7-3)16-12-8-4/h19H,5-16H2,1-4H3
InChIKeyADKTVTYZVACQPS-UHFFFAOYSA-N
XLogP5.83
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.83
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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Related Compounds

2,2,6,6-tetrabutylpiperidine
CID 22415175
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
3-butyl-3-fluoroazetidine
CID 112563312
3-butyl-3-methylazetidine;ethane
CID 145389820
ethanamine;pentane
CID 87764211
1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane
CID 101173353
1-methyl-1-pentylcyclopropane
CID 524644
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
3,3-dibutylpyrazole
CID 154963182
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
2-butyl-2-methylthiirane
CID 12666043
hexane;hydron
CID 174049109

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrabutylaziridine?
The IUPAC name of 2,2,3,3-tetrabutylaziridine (CID 87703412) is 2,2,3,3-tetrabutylaziridine.
What is the SMILES notation for 2,2,3,3-tetrabutylaziridine?
The canonical SMILES for 2,2,3,3-tetrabutylaziridine is CCCCC1(CCCC)NC1(CCCC)CCCC.
What is the InChIKey of 2,2,3,3-tetrabutylaziridine?
The InChIKey is ADKTVTYZVACQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-9-13-17(14-10-6-2)18(19-17,15-11-7-3)16-12-8-4/h19H,5-16H2,1-4H3.
What are the key properties of 2,2,3,3-tetrabutylaziridine?
2,2,3,3-tetrabutylaziridine has a molecular weight of 267.50 g/mol, XLogP of 5.83, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrabutylaziridine is sourced from PubChem (CID 87703412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).