3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine

C13H21N3O — CID 113371377

IUPAC3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine
SMILESCCC1(N)CN(c2ncccc2OC(C)C)C1
InChIInChI=1S/C13H21N3O/c1-4-13(14)8-16(9-13)12-11(17-10(2)3)6-5-7-15-12/h5-7,10H,4,8-9,14H2,1-3H3
InChIKeyXIXHAKQOEZZGCM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds4

About 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine

3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine (PubChem CID 113371377) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine
PubChem CID113371377
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine
SMILESCCC1(N)CN(c2ncccc2OC(C)C)C1
InChIInChI=1S/C13H21N3O/c1-4-13(14)8-16(9-13)12-11(17-10(2)3)6-5-7-15-12/h5-7,10H,4,8-9,14H2,1-3H3
InChIKeyXIXHAKQOEZZGCM-UHFFFAOYSA-N
XLogP1.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine?
The IUPAC name of 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine (CID 113371377) is 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine.
What is the SMILES notation for 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine?
The canonical SMILES for 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine is CCC1(N)CN(c2ncccc2OC(C)C)C1.
What is the InChIKey of 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine?
The InChIKey is XIXHAKQOEZZGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-13(14)8-16(9-13)12-11(17-10(2)3)6-5-7-15-12/h5-7,10H,4,8-9,14H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine?
3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine is sourced from PubChem (CID 113371377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).