1-ethyl-3-pentan-3-ylazetidine

C10H21N — CID 130188459

IUPAC1-ethyl-3-pentan-3-ylazetidine
SMILESCCC(CC)C1CN(CC)C1
InChIInChI=1S/C10H21N/c1-4-9(5-2)10-7-11(6-3)8-10/h9-10H,4-8H2,1-3H3
InChIKeyHICJFKTYCVTXAK-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds4

About 1-ethyl-3-pentan-3-ylazetidine

1-ethyl-3-pentan-3-ylazetidine (PubChem CID 130188459) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-ethyl-3-pentan-3-ylazetidine.

Molecular Properties

Compound Name1-ethyl-3-pentan-3-ylazetidine
PubChem CID130188459
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-ethyl-3-pentan-3-ylazetidine
SMILESCCC(CC)C1CN(CC)C1
InChIInChI=1S/C10H21N/c1-4-9(5-2)10-7-11(6-3)8-10/h9-10H,4-8H2,1-3H3
InChIKeyHICJFKTYCVTXAK-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pentan-3-ylazetidine?
The IUPAC name of 1-ethyl-3-pentan-3-ylazetidine (CID 130188459) is 1-ethyl-3-pentan-3-ylazetidine.
What is the SMILES notation for 1-ethyl-3-pentan-3-ylazetidine?
The canonical SMILES for 1-ethyl-3-pentan-3-ylazetidine is CCC(CC)C1CN(CC)C1.
What is the InChIKey of 1-ethyl-3-pentan-3-ylazetidine?
The InChIKey is HICJFKTYCVTXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-9(5-2)10-7-11(6-3)8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-3-pentan-3-ylazetidine?
1-ethyl-3-pentan-3-ylazetidine has a molecular weight of 155.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pentan-3-ylazetidine is sourced from PubChem (CID 130188459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).