N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine

C12H19N3 — CID 66181652

IUPACN-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine
SMILESCCN(C1CNC1)C(C)c1ccncc1
InChIInChI=1S/C12H19N3/c1-3-15(12-8-14-9-12)10(2)11-4-6-13-7-5-11/h4-7,10,12,14H,3,8-9H2,1-2H3
InChIKeyPBFJVUWDQJYHEV-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.44
Rot. Bonds4

About N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine

N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine (PubChem CID 66181652) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine
PubChem CID66181652
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine
SMILESCCN(C1CNC1)C(C)c1ccncc1
InChIInChI=1S/C12H19N3/c1-3-15(12-8-14-9-12)10(2)11-4-6-13-7-5-11/h4-7,10,12,14H,3,8-9H2,1-2H3
InChIKeyPBFJVUWDQJYHEV-UHFFFAOYSA-N
XLogP1.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine?
The IUPAC name of N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine (CID 66181652) is N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine?
The canonical SMILES for N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine is CCN(C1CNC1)C(C)c1ccncc1.
What is the InChIKey of N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine?
The InChIKey is PBFJVUWDQJYHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-15(12-8-14-9-12)10(2)11-4-6-13-7-5-11/h4-7,10,12,14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine?
N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine has a molecular weight of 205.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine is sourced from PubChem (CID 66181652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).