4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine

C11H23N — CID 126538731

IUPAC4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine
SMILESCCC1NC(C)(C)C1(C)C(C)C
InChIInChI=1S/C11H23N/c1-7-9-11(6,8(2)3)10(4,5)12-9/h8-9,12H,7H2,1-6H3
InChIKeyAXASDVLKTPGSKJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds2

About 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine

4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine (PubChem CID 126538731) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine.

Molecular Properties

Compound Name4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine
PubChem CID126538731
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine
SMILESCCC1NC(C)(C)C1(C)C(C)C
InChIInChI=1S/C11H23N/c1-7-9-11(6,8(2)3)10(4,5)12-9/h8-9,12H,7H2,1-6H3
InChIKeyAXASDVLKTPGSKJ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine
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ethane;2-ethyl-3-methyl-2-propan-2-ylaziridine
CID 145182017
1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane
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4-ethyl-2,2-di(propan-2-yl)-1,3-thiazolidine
CID 126978863
1,3-diethyl-1-methyl-2,2-di(propan-2-yl)cyclopropane
CID 123596430
2-ethyl-3,3-dimethylpyrrolidine
CID 62352617
2-ethyl-1-methyl-1-propan-2-yl-3-propylcyclopropane
CID 123845526
(6R)-6-ethyl-5-azadispiro[2.0.24.13]heptane
CID 163943766
2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
CID 123732061
3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64903585

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine?
The IUPAC name of 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine (CID 126538731) is 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine.
What is the SMILES notation for 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine?
The canonical SMILES for 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine is CCC1NC(C)(C)C1(C)C(C)C.
What is the InChIKey of 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine?
The InChIKey is AXASDVLKTPGSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-7-9-11(6,8(2)3)10(4,5)12-9/h8-9,12H,7H2,1-6H3.
What are the key properties of 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine?
4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2,3-trimethyl-3-propan-2-ylazetidine is sourced from PubChem (CID 126538731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).