1-ethyl-2-(4-methylpentyl)azetidine

C11H23N — CID 166774488

IUPAC1-ethyl-2-(4-methylpentyl)azetidine
SMILESCCN1CCC1CCCC(C)C
InChIInChI=1S/C11H23N/c1-4-12-9-8-11(12)7-5-6-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyVGBVPPUAQQQEAL-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds5

About 1-ethyl-2-(4-methylpentyl)azetidine

1-ethyl-2-(4-methylpentyl)azetidine (PubChem CID 166774488) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-ethyl-2-(4-methylpentyl)azetidine.

Molecular Properties

Compound Name1-ethyl-2-(4-methylpentyl)azetidine
PubChem CID166774488
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-ethyl-2-(4-methylpentyl)azetidine
SMILESCCN1CCC1CCCC(C)C
InChIInChI=1S/C11H23N/c1-4-12-9-8-11(12)7-5-6-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyVGBVPPUAQQQEAL-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methylpentyl)azetidine?
The IUPAC name of 1-ethyl-2-(4-methylpentyl)azetidine (CID 166774488) is 1-ethyl-2-(4-methylpentyl)azetidine.
What is the SMILES notation for 1-ethyl-2-(4-methylpentyl)azetidine?
The canonical SMILES for 1-ethyl-2-(4-methylpentyl)azetidine is CCN1CCC1CCCC(C)C.
What is the InChIKey of 1-ethyl-2-(4-methylpentyl)azetidine?
The InChIKey is VGBVPPUAQQQEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-12-9-8-11(12)7-5-6-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-2-(4-methylpentyl)azetidine?
1-ethyl-2-(4-methylpentyl)azetidine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methylpentyl)azetidine is sourced from PubChem (CID 166774488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).