1-(2-ethylpentyl)-3-methylazetidine

C11H23N — CID 170275965

IUPAC1-(2-ethylpentyl)-3-methylazetidine
SMILESCCCC(CC)CN1CC(C)C1
InChIInChI=1S/C11H23N/c1-4-6-11(5-2)9-12-7-10(3)8-12/h10-11H,4-9H2,1-3H3
InChIKeyCNLBLOKILRRVNI-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds5

About 1-(2-ethylpentyl)-3-methylazetidine

1-(2-ethylpentyl)-3-methylazetidine (PubChem CID 170275965) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-(2-ethylpentyl)-3-methylazetidine.

Molecular Properties

Compound Name1-(2-ethylpentyl)-3-methylazetidine
PubChem CID170275965
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-(2-ethylpentyl)-3-methylazetidine
SMILESCCCC(CC)CN1CC(C)C1
InChIInChI=1S/C11H23N/c1-4-6-11(5-2)9-12-7-10(3)8-12/h10-11H,4-9H2,1-3H3
InChIKeyCNLBLOKILRRVNI-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpentyl)-3-methylazetidine?
The IUPAC name of 1-(2-ethylpentyl)-3-methylazetidine (CID 170275965) is 1-(2-ethylpentyl)-3-methylazetidine.
What is the SMILES notation for 1-(2-ethylpentyl)-3-methylazetidine?
The canonical SMILES for 1-(2-ethylpentyl)-3-methylazetidine is CCCC(CC)CN1CC(C)C1.
What is the InChIKey of 1-(2-ethylpentyl)-3-methylazetidine?
The InChIKey is CNLBLOKILRRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-6-11(5-2)9-12-7-10(3)8-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethylpentyl)-3-methylazetidine?
1-(2-ethylpentyl)-3-methylazetidine has a molecular weight of 169.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpentyl)-3-methylazetidine is sourced from PubChem (CID 170275965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).