4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline

C22H31N3O2 — CID 167508955

IUPAC4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OC(C)COC(C)(C)CCN)nc2)cc1
InChIInChI=1S/C22H31N3O2/c1-17(16-26-22(2,3)13-14-23)27-21-12-9-19(15-25-21)6-5-18-7-10-20(24-4)11-8-18/h5-12,15,17,24H,13-14,16,23H2,1-4H3/b6-5+
InChIKeySCRDXHFTXRHECX-AATRIKPKSA-N
MW369.51 g/mol
LogP4.20
Rot. Bonds10

About 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline

4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline (PubChem CID 167508955) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline
PubChem CID167508955
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OC(C)COC(C)(C)CCN)nc2)cc1
InChIInChI=1S/C22H31N3O2/c1-17(16-26-22(2,3)13-14-23)27-21-12-9-19(15-25-21)6-5-18-7-10-20(24-4)11-8-18/h5-12,15,17,24H,13-14,16,23H2,1-4H3/b6-5+
InChIKeySCRDXHFTXRHECX-AATRIKPKSA-N
XLogP4.20
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline (CID 167508955) is 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(OC(C)COC(C)(C)CCN)nc2)cc1.
What is the InChIKey of 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The InChIKey is SCRDXHFTXRHECX-AATRIKPKSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17(16-26-22(2,3)13-14-23)27-21-12-9-19(15-25-21)6-5-18-7-10-20(24-4)11-8-18/h5-12,15,17,24H,13-14,16,23H2,1-4H3/b6-5+.
What are the key properties of 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline?
4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline has a molecular weight of 369.51 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 167508955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).