3-(2,2-dimethylpropyl)azetidine

C8H17N — CID 21056549

IUPAC3-(2,2-dimethylpropyl)azetidine
SMILESCC(C)(C)CC1CNC1
InChIInChI=1S/C8H17N/c1-8(2,3)4-7-5-9-6-7/h7,9H,4-6H2,1-3H3
InChIKeyVNVOYYSIUYHZQH-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds1

About 3-(2,2-dimethylpropyl)azetidine

3-(2,2-dimethylpropyl)azetidine (PubChem CID 21056549) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)azetidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)azetidine
PubChem CID21056549
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-(2,2-dimethylpropyl)azetidine
SMILESCC(C)(C)CC1CNC1
InChIInChI=1S/C8H17N/c1-8(2,3)4-7-5-9-6-7/h7,9H,4-6H2,1-3H3
InChIKeyVNVOYYSIUYHZQH-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)azetidine?
The IUPAC name of 3-(2,2-dimethylpropyl)azetidine (CID 21056549) is 3-(2,2-dimethylpropyl)azetidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)azetidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)azetidine is CC(C)(C)CC1CNC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)azetidine?
The InChIKey is VNVOYYSIUYHZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2,3)4-7-5-9-6-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)azetidine?
3-(2,2-dimethylpropyl)azetidine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)azetidine is sourced from PubChem (CID 21056549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).