2-(2,3-dimethylpentan-3-yl)-2-methylazetidine

C11H23N — CID 166906779

IUPAC2-(2,3-dimethylpentan-3-yl)-2-methylazetidine
SMILESCCC(C)(C(C)C)C1(C)CCN1
InChIInChI=1S/C11H23N/c1-6-10(4,9(2)3)11(5)7-8-12-11/h9,12H,6-8H2,1-5H3
InChIKeySATVLOHFEYDQLI-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds3

About 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine

2-(2,3-dimethylpentan-3-yl)-2-methylazetidine (PubChem CID 166906779) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine.

Molecular Properties

Compound Name2-(2,3-dimethylpentan-3-yl)-2-methylazetidine
PubChem CID166906779
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-(2,3-dimethylpentan-3-yl)-2-methylazetidine
SMILESCCC(C)(C(C)C)C1(C)CCN1
InChIInChI=1S/C11H23N/c1-6-10(4,9(2)3)11(5)7-8-12-11/h9,12H,6-8H2,1-5H3
InChIKeySATVLOHFEYDQLI-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine?
The IUPAC name of 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine (CID 166906779) is 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine.
What is the SMILES notation for 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine?
The canonical SMILES for 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine is CCC(C)(C(C)C)C1(C)CCN1.
What is the InChIKey of 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine?
The InChIKey is SATVLOHFEYDQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-10(4,9(2)3)11(5)7-8-12-11/h9,12H,6-8H2,1-5H3.
What are the key properties of 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine?
2-(2,3-dimethylpentan-3-yl)-2-methylazetidine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpentan-3-yl)-2-methylazetidine is sourced from PubChem (CID 166906779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).