3-(3-phenylazetidin-1-yl)cyclobutan-1-amine

C13H18N2 — CID 79678559

IUPAC3-(3-phenylazetidin-1-yl)cyclobutan-1-amine
SMILESNC1CC(N2CC(c3ccccc3)C2)C1
InChIInChI=1S/C13H18N2/c14-12-6-13(7-12)15-8-11(9-15)10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2
InChIKeyHHYPPAOXKIMIFO-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.58
Rot. Bonds2

About 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine

3-(3-phenylazetidin-1-yl)cyclobutan-1-amine (PubChem CID 79678559) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-phenylazetidin-1-yl)cyclobutan-1-amine
PubChem CID79678559
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-(3-phenylazetidin-1-yl)cyclobutan-1-amine
SMILESNC1CC(N2CC(c3ccccc3)C2)C1
InChIInChI=1S/C13H18N2/c14-12-6-13(7-12)15-8-11(9-15)10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2
InChIKeyHHYPPAOXKIMIFO-UHFFFAOYSA-N
XLogP1.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine (CID 79678559) is 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine is NC1CC(N2CC(c3ccccc3)C2)C1.
What is the InChIKey of 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine?
The InChIKey is HHYPPAOXKIMIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-12-6-13(7-12)15-8-11(9-15)10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2.
What are the key properties of 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine?
3-(3-phenylazetidin-1-yl)cyclobutan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylazetidin-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 79678559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).