3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine

C11H22N2 — CID 79678558

IUPAC3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine
SMILESCC(C)(C)C1CN(C2CC(N)C2)C1
InChIInChI=1S/C11H22N2/c1-11(2,3)8-6-13(7-8)10-4-9(12)5-10/h8-10H,4-7,12H2,1-3H3
InChIKeyBPCYQDXSYGDMPT-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.45
Rot. Bonds1

About 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine

3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine (PubChem CID 79678558) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine
PubChem CID79678558
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine
SMILESCC(C)(C)C1CN(C2CC(N)C2)C1
InChIInChI=1S/C11H22N2/c1-11(2,3)8-6-13(7-8)10-4-9(12)5-10/h8-10H,4-7,12H2,1-3H3
InChIKeyBPCYQDXSYGDMPT-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine (CID 79678558) is 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine is CC(C)(C)C1CN(C2CC(N)C2)C1.
What is the InChIKey of 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine?
The InChIKey is BPCYQDXSYGDMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)8-6-13(7-8)10-4-9(12)5-10/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine?
3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylazetidin-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 79678558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).