2,2-di(propan-2-yl)azetidine

C9H19N — CID 59129169

IUPAC2,2-di(propan-2-yl)azetidine
SMILESCC(C)C1(C(C)C)CCN1
InChIInChI=1S/C9H19N/c1-7(2)9(8(3)4)5-6-10-9/h7-8,10H,5-6H2,1-4H3
InChIKeyVMCDRBQWUFXXPC-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds2

About 2,2-di(propan-2-yl)azetidine

2,2-di(propan-2-yl)azetidine (PubChem CID 59129169) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)azetidine.

Molecular Properties

Compound Name2,2-di(propan-2-yl)azetidine
PubChem CID59129169
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2,2-di(propan-2-yl)azetidine
SMILESCC(C)C1(C(C)C)CCN1
InChIInChI=1S/C9H19N/c1-7(2)9(8(3)4)5-6-10-9/h7-8,10H,5-6H2,1-4H3
InChIKeyVMCDRBQWUFXXPC-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)azetidine?
The IUPAC name of 2,2-di(propan-2-yl)azetidine (CID 59129169) is 2,2-di(propan-2-yl)azetidine.
What is the SMILES notation for 2,2-di(propan-2-yl)azetidine?
The canonical SMILES for 2,2-di(propan-2-yl)azetidine is CC(C)C1(C(C)C)CCN1.
What is the InChIKey of 2,2-di(propan-2-yl)azetidine?
The InChIKey is VMCDRBQWUFXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)9(8(3)4)5-6-10-9/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)azetidine?
2,2-di(propan-2-yl)azetidine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)azetidine is sourced from PubChem (CID 59129169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).