2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline

C21H28N2 — CID 153360503

IUPAC2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline
SMILESCC(C)c1ccc(NCc2ccncc2)c(C2CCCCC2)c1
InChIInChI=1S/C21H28N2/c1-16(2)19-8-9-21(23-15-17-10-12-22-13-11-17)20(14-19)18-6-4-3-5-7-18/h8-14,16,18,23H,3-7,15H2,1-2H3
InChIKeyFISCGFYKJWOQGX-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.86
Rot. Bonds5

About 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline

2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 153360503) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline
PubChem CID153360503
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline
SMILESCC(C)c1ccc(NCc2ccncc2)c(C2CCCCC2)c1
InChIInChI=1S/C21H28N2/c1-16(2)19-8-9-21(23-15-17-10-12-22-13-11-17)20(14-19)18-6-4-3-5-7-18/h8-14,16,18,23H,3-7,15H2,1-2H3
InChIKeyFISCGFYKJWOQGX-UHFFFAOYSA-N
XLogP5.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline (CID 153360503) is 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline is CC(C)c1ccc(NCc2ccncc2)c(C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is FISCGFYKJWOQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-16(2)19-8-9-21(23-15-17-10-12-22-13-11-17)20(14-19)18-6-4-3-5-7-18/h8-14,16,18,23H,3-7,15H2,1-2H3.
What are the key properties of 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline?
2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 308.47 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-propan-2-yl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 153360503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).