1-tert-butyl-N-phenylazetidin-3-amine

C13H20N2 — CID 58546809

IUPAC1-tert-butyl-N-phenylazetidin-3-amine
SMILESCC(C)(C)N1CC(Nc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-13(2,3)15-9-12(10-15)14-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3
InChIKeyYLYNCILVCFUSLR-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.58
Rot. Bonds2

About 1-tert-butyl-N-phenylazetidin-3-amine

1-tert-butyl-N-phenylazetidin-3-amine (PubChem CID 58546809) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-tert-butyl-N-phenylazetidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-phenylazetidin-3-amine
PubChem CID58546809
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-tert-butyl-N-phenylazetidin-3-amine
SMILESCC(C)(C)N1CC(Nc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-13(2,3)15-9-12(10-15)14-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3
InChIKeyYLYNCILVCFUSLR-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-phenylazetidin-3-amine?
The IUPAC name of 1-tert-butyl-N-phenylazetidin-3-amine (CID 58546809) is 1-tert-butyl-N-phenylazetidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-phenylazetidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-phenylazetidin-3-amine is CC(C)(C)N1CC(Nc2ccccc2)C1.
What is the InChIKey of 1-tert-butyl-N-phenylazetidin-3-amine?
The InChIKey is YLYNCILVCFUSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)15-9-12(10-15)14-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3.
What are the key properties of 1-tert-butyl-N-phenylazetidin-3-amine?
1-tert-butyl-N-phenylazetidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-phenylazetidin-3-amine is sourced from PubChem (CID 58546809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).